PC-Compounds ::= {
{
id {
id cid 16218991
},
atoms {
aid {
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
29,
30,
31,
32,
33,
34,
35,
36,
37,
38,
39,
40,
41,
42,
43,
44,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
55,
56,
57,
58,
59,
60,
61,
62,
63,
64,
65,
66,
67,
68,
69,
70,
71,
72,
73,
74,
75,
76,
77,
78,
79,
80,
81,
82,
83,
84,
85,
86,
87,
88,
89,
90,
91,
92,
93,
94,
95,
96,
97,
98,
99,
100,
101,
102,
103,
104,
105,
106,
107,
108,
109,
110,
111,
112,
113,
114,
115,
116,
117,
118,
119,
120,
121,
122,
123,
124,
125,
126,
127,
128,
129,
130,
131,
132,
133,
134,
135,
136,
137,
138,
139,
140,
141,
142,
143,
144,
145,
146,
147,
148,
149,
150,
151,
152,
153,
154,
155,
156,
157,
158,
159,
160,
161,
162,
163,
164,
165,
166,
167,
168,
169,
170,
171,
172,
173,
174,
175,
176,
177,
178
},
element {
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h
}
},
bonds {
aid1 {
1,
2,
3,
4,
5,
5,
6,
6,
7,
8,
9,
10,
11,
12,
13,
13,
14,
15,
16,
17,
17,
17,
18,
18,
18,
19,
19,
19,
20,
20,
20,
21,
21,
21,
22,
22,
22,
23,
23,
23,
24,
24,
24,
25,
25,
25,
26,
26,
26,
27,
27,
28,
28,
28,
29,
29,
29,
30,
30,
30,
31,
31,
31,
32,
32,
32,
33,
33,
33,
34,
34,
34,
35,
35,
35,
36,
36,
37,
37,
38,
39,
39,
40,
41,
41,
44,
44,
44,
45,
45,
45,
46,
46,
46,
47,
47,
47,
48,
48,
48,
49,
49,
49,
50,
50,
50,
51,
51,
51,
52,
53,
54,
54,
55,
55,
56,
56,
56,
57,
57,
57,
58,
58,
59,
59,
60,
60,
60,
61,
61,
61,
64,
64,
64,
65,
65,
65,
68,
68,
68,
69,
69,
69,
70,
70,
70,
71,
71,
71,
72,
72,
72,
73,
73,
73,
74,
74,
74,
75,
75,
75,
76,
77,
78,
78,
79,
79,
80,
81,
82,
83,
84,
85,
85,
86,
86,
87,
87,
90,
90,
90,
91,
91,
91
},
aid2 {
38,
40,
42,
43,
58,
66,
59,
67,
52,
53,
62,
63,
66,
67,
82,
83,
76,
77,
89,
30,
36,
38,
31,
37,
40,
42,
50,
56,
43,
51,
57,
39,
52,
110,
41,
53,
111,
60,
62,
70,
61,
63,
71,
54,
76,
142,
55,
77,
143,
80,
81,
84,
172,
173,
88,
177,
178,
32,
42,
92,
33,
43,
93,
34,
94,
95,
35,
96,
97,
36,
98,
99,
37,
100,
101,
102,
103,
104,
105,
39,
44,
106,
41,
45,
107,
46,
47,
108,
48,
49,
109,
112,
113,
114,
115,
116,
117,
118,
119,
120,
121,
122,
123,
62,
124,
125,
63,
126,
127,
54,
55,
58,
128,
59,
129,
130,
131,
132,
133,
134,
135,
68,
136,
69,
137,
64,
66,
138,
65,
67,
139,
72,
73,
140,
74,
75,
141,
144,
145,
146,
147,
148,
149,
150,
151,
152,
153,
154,
155,
156,
157,
158,
159,
160,
161,
162,
163,
164,
165,
166,
167,
78,
79,
80,
84,
81,
85,
82,
83,
87,
86,
89,
88,
168,
88,
90,
89,
91,
169,
170,
171,
174,
175,
176
},
order {
double,
double,
double,
double,
single,
single,
single,
single,
double,
double,
double,
double,
double,
double,
single,
single,
double,
double,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
double,
single,
double,
double,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single
}
},
stereo {
tetrahedral {
center 30,
above 17,
top 32,
bottom 42,
below 92,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 31,
above 18,
top 33,
bottom 43,
below 93,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 39,
above 21,
top 38,
bottom 44,
below 106,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 41,
above 22,
top 40,
bottom 45,
below 107,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 54,
above 25,
top 58,
bottom 52,
below 128,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 55,
above 26,
top 59,
bottom 53,
below 129,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 58,
above 5,
top 54,
bottom 68,
below 136,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 59,
above 6,
top 55,
bottom 69,
below 137,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 60,
above 23,
top 64,
bottom 66,
below 138,
parity any,
type tetrahedral
},
tetrahedral {
center 61,
above 24,
top 65,
bottom 67,
below 139,
parity clockwise,
type tetrahedral
}
},
coords {
{
type {
twod,
computed,
units-unknown
},
aid {
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
29,
30,
31,
32,
33,
34,
35,
36,
37,
38,
39,
40,
41,
42,
43,
44,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
55,
56,
57,
58,
59,
60,
61,
62,
63,
64,
65,
66,
67,
68,
69,
70,
71,
72,
73,
74,
75,
76,
77,
78,
79,
80,
81,
82,
83,
84,
85,
86,
87,
88,
89,
90,
91,
92,
93,
94,
95,
96,
97,
98,
99,
100,
101,
102,
103,
104,
105,
106,
107,
108,
109,
110,
111,
112,
113,
114,
115,
116,
117,
118,
119,
120,
121,
122,
123,
124,
125,
126,
127,
128,
129,
130,
131,
132,
133,
134,
135,
136,
137,
138,
139,
140,
141,
142,
143,
144,
145,
146,
147,
148,
149,
150,
151,
152,
153,
154,
155,
156,
157,
158,
159,
160,
161,
162,
163,
164,
165,
166,
167,
168,
169,
170,
171,
172,
173,
174,
175,
176,
177,
178
},
conformers {
{
x {
{ 165909, 10, -4 },
{ 61167, 10, -4 },
{ 141133, 10, -4 },
{ 54496, 10, -4 },
{ 125841, 10, -4 },
{ 63279, 10, -4 },
{ 161507, 10, -4 },
{ 8353, 10, -3 },
{ 104329, 10, -4 },
{ 2, 10, 0 },
{ 108522, 10, -4 },
{ 54446, 10, -4 },
{ 118217, 10, -4 },
{ 126984, 10, -4 },
{ 92131, 10, -4 },
{ 153518, 10, -4 },
{ 150932, 10, -4 },
{ 44698, 10, -4 },
{ 126034, 10, -4 },
{ 39397, 10, -4 },
{ 152674, 10, -4 },
{ 6621, 10, -3 },
{ 109856, 10, -4 },
{ 36271, 10, -4 },
{ 144303, 10, -4 },
{ 83298, 10, -4 },
{ 118217, 10, -4 },
{ 153518, 10, -4 },
{ 82916, 10, -4 },
{ 140933, 10, -4 },
{ 39598, 10, -4 },
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{ 29904, 10, -4 },
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{ 28988, 10, -4 },
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{ 126993, 10, -4 },
{ 5068, 10, -3 },
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{ 54562, 10, -4 },
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{ 23705, 10, -4 },
{ 29173, 10, -4 },
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{ 27139, 10, -4 },
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{ 1569, 10, -2 },
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{ 161739, 10, -4 },
{ 69804, 10, -4 },
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{ 61248, 10, -4 },
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{ 117772, 10, -4 },
{ 2947, 10, -3 },
{ 23199, 10, -4 },
{ 149592, 10, -4 },
{ 80101, 10, -4 },
{ 115729, 10, -4 },
{ 118097, 10, -4 },
{ 126539, 10, -4 },
{ 38892, 10, -4 },
{ 47335, 10, -4 },
{ 49702, 10, -4 },
{ 130762, 10, -4 },
{ 60085, 10, -4 },
{ 119188, 10, -4 },
{ 42135, 10, -4 },
{ 124554, 10, -4 },
{ 44542, 10, -4 },
{ 149708, 10, -4 },
{ 83226, 10, -4 },
{ 142816, 10, -4 },
{ 137399, 10, -4 },
{ 130505, 10, -4 },
{ 61947, 10, -4 },
{ 53241, 10, -4 },
{ 54285, 10, -4 },
{ 98553, 10, -4 },
{ 94257, 10, -4 },
{ 101901, 10, -4 },
{ 27602, 10, -4 },
{ 31898, 10, -4 },
{ 39541, 10, -4 },
{ 123233, 10, -4 },
{ 130682, 10, -4 },
{ 135307, 10, -4 },
{ 138528, 10, -4 },
{ 13881, 10, -3 },
{ 130046, 10, -4 },
{ 58249, 10, -4 },
{ 66072, 10, -4 },
{ 62114, 10, -4 },
{ 54696, 10, -4 },
{ 47356, 10, -4 },
{ 4256, 10, -3 },
{ 862, 10, -2 },
{ 94534, 10, -4 },
{ 100805, 10, -4 },
{ 106933, 10, -4 },
{ 1589, 10, -2 },
{ 153495, 10, -4 },
{ 129502, 10, -4 },
{ 13563, 10, -3 },
{ 141901, 10, -4 },
{ 77535, 10, -4 },
{ 8294, 10, -3 }
},
y {
{ 29722, 10, -4 },
{ 14528, 10, -4 },
{ 22452, 10, -4 },
{ -10416, 10, -4 },
{ 2864, 10, -4 },
{ -33662, 10, -4 },
{ 865, 10, -4 },
{ -4235, 10, -4 },
{ 40436, 10, -4 },
{ -32506, 10, -4 },
{ 2664, 10, -4 },
{ -48561, 10, -4 },
{ -44781, 10, -4 },
{ -9535, 10, -4 },
{ -9335, 10, -4 },
{ -45022, 10, -4 },
{ 39887, 10, -4 },
{ 7019, 10, -4 },
{ 30938, 10, -4 },
{ -18902, 10, -4 },
{ 15764, 10, -4 },
{ -4035, 10, -4 },
{ 24752, 10, -4 },
{ -35938, 10, -4 },
{ -9335, 10, -4 },
{ -24234, 10, -4 },
{ -24781, 10, -4 },
{ -24539, 10, -4 },
{ -45022, 10, -4 },
{ 39772, 10, -4 },
{ -1583, 10, -4 },
{ 49198, 10, -4 },
{ 621, 10, -4 },
{ 55127, 10, -4 },
{ 1052, 10, -3 },
{ 49384, 10, -4 },
{ 14466, 10, -4 },
{ 31285, 10, -4 },
{ 22916, 10, -4 },
{ 6903, 10, -4 },
{ 5654, 10, -4 },
{ 31054, 10, -4 },
{ -103, 10, -2 },
{ 21777, 10, -4 },
{ 13549, 10, -4 },
{ 12604, 10, -4 },
{ 29812, 10, -4 },
{ 1218, 10, -3 },
{ 22811, 10, -4 },
{ 3954, 10, -3 },
{ -18786, 10, -4 },
{ 5764, 10, -4 },
{ -9135, 10, -4 },
{ 664, 10, -4 },
{ -19134, 10, -4 },
{ 22221, 10, -4 },
{ -2762, 10, -3 },
{ 5564, 10, -4 },
{ -24034, 10, -4 },
{ 17763, 10, -4 },
{ -33462, 10, -4 },
{ 3444, 10, -3 },
{ -28786, 10, -4 },
{ 18315, 10, -4 },
{ -24646, 10, -4 },
{ 7764, 10, -4 },
{ -38562, 10, -4 },
{ 15493, 10, -4 },
{ -17854, 10, -4 },
{ 22052, 10, -4 },
{ -45567, 10, -4 },
{ 8577, 10, -4 },
{ 25156, 10, -4 },
{ -27763, 10, -4 },
{ -14858, 10, -4 },
{ -14435, 10, -4 },
{ -19334, 10, -4 },
{ -24434, 10, -4 },
{ -24434, 10, -4 },
{ -29781, 10, -4 },
{ -29781, 10, -4 },
{ -39781, 10, -4 },
{ -39781, 10, -4 },
{ -29572, 10, -4 },
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{ -45127, 10, -4 },
{ -45127, 10, -4 },
{ -39989, 10, -4 },
{ -39989, 10, -4 },
{ -55127, 10, -4 },
{ -55127, 10, -4 },
{ 40573, 10, -4 },
{ -8395, 10, -4 },
{ 54536, 10, -4 },
{ 46622, 10, -4 },
{ 702, 10, -4 },
{ -5535, 10, -4 },
{ 59783, 10, -4 },
{ 59687, 10, -4 },
{ 16438, 10, -4 },
{ 9303, 10, -4 },
{ 46939, 10, -4 },
{ 54793, 10, -4 },
{ 18062, 10, -4 },
{ 19866, 10, -4 },
{ 17074, 10, -4 },
{ 439, 10, -3 },
{ 21071, 10, -4 },
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style {
annotation {
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aromatic,
aromatic,
aromatic,
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wedge-up,
wedge-up,
wedge-up,
wedge-up,
wedge-up,
wedge-down,
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aromatic,
aromatic,
aromatic,
aromatic,
aromatic,
aromatic,
aromatic,
aromatic,
aromatic,
aromatic
},
aid1 {
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13,
27,
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30,
31,
39,
41,
54,
55,
58,
59,
60,
61,
78,
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83,
84,
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87
},
aid2 {
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25,
26,
68,
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83,
87,
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88,
88,
89
}
}
}
}
}
},
charge 0,
props {
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urn {
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datatype uint,
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value ival 1
},
{
urn {
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},
value fval { 307, 10, 1 }
},
{
urn {
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value ival 19
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{
urn {
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value ival 6
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{
urn {
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value ival 8
},
{
urn {
label "Fingerprint",
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datatype fingerprint,
parameters "extended 2",
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value binary '00000371F07FFE00000000000000000000000000000162C000003040
80000000000000810000001E00100000000D3CE1980632CE83C00400A803A5F25C048208002422
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},
{
urn {
label "IUPAC Name",
name "Allowed",
datatype string,
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source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "2,7-diamino-N9-[(3R,6S,7R,10S,16S)-3,10-diisopropyl-7,11,1
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taoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo
-phenoxazine-1,9-dicarboxamide"
},
{
urn {
label "IUPAC Name",
name "CAS-like Style",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "2,7-diamino-4,6-dimethyl-3-oxo-N9-[(3R,6S,7R,10S,16S)-7,11
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15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadec
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},
{
urn {
label "IUPAC Name",
name "Markup",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
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},
value sval "2,7-diamino-4,6-dimethyl-3-oxo-9-N-[(3R,6
S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-
3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-1-<
I>N-[(3R,6S,7R,16S)-7,11,14-trimethyl-2,5,9,12
,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonade
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},
{
urn {
label "IUPAC Name",
name "Preferred",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "2,7-diamino-4,6-dimethyl-3-oxo-9-N-[(3R,6S,7R,10S,16S)-7,1
1,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetra
zabicyclo[14.3.0]nonadecan-6-yl]-1-N-[(3R,6S,7R,16S)-7,11,14-trimethyl-2,5,9,1
2,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonad
ecan-6-yl]phenoxazine-1,9-dicarboxamide"
},
{
urn {
label "IUPAC Name",
name "Systematic",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "2,7-bis(azanyl)-4,6-dimethyl-3-oxidanylidene-N9-[(3R,6S,7R
,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan
-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N1-[(3R,6S,7R,16S
)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8
-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxam
ide"
},
{
urn {
label "IUPAC Name",
name "Traditional",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "2,7-diamino-N
'-[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl
-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N-[(3R,6S,7R,16S)-3,10-
diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabic
yclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide"
},
{
urn {
label "InChI",
name "Standard",
datatype string,
version "1.0.6",
software "InChI",
source "iupac.org",
release "2021.10.14"
},
value sval "InChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)5
7(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-
23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(1
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3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,
(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49?/
m1/s1"
},
{
urn {
label "InChIKey",
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datatype string,
version "1.0.6",
software "InChI",
source "iupac.org",
release "2021.10.14"
},
value sval "YXHLJMWYDTXDHS-SGILFZQNSA-N"
},
{
urn {
label "Log P",
name "XLogP3-AA",
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},
value fval { 31, 10, -1 }
},
{
urn {
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software "PubChem",
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},
value sval "1269.63937374"
},
{
urn {
label "Molecular Formula",
datatype string,
version "2.2",
software "PubChem",
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release "2021.10.14"
},
value sval "C62H87N13O16"
},
{
urn {
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},
value sval "1270.4"
},
{
urn {
label "SMILES",
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version "2.3.0",
software "OEChem",
source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)
C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O
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},
{
urn {
label "SMILES",
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datatype string,
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source "OpenEye Scientific Software",
release "2021.10.14"
},
value sval "C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N
([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C
(=O)N[C@H]6[C@H](OC(=O)C(N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C
)C(C)C)C)C)N"
},
{
urn {
label "Topological",
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datatype double,
implementation "E_TPSA",
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source "Xemistry GmbH",
release "2021.10.14"
},
value fval { 382, 10, 0 }
},
{
urn {
label "Weight",
name "MonoIsotopic",
datatype string,
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software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.10.14"
},
value sval "1269.63937374"
}
},
count {
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atom-chiral 10,
atom-chiral-def 9,
atom-chiral-undef 1,
bond-chiral 0,
bond-chiral-def 0,
bond-chiral-undef 0,
isotope-atom 0,
covalent-unit 1,
tautomers -1
}
}
}