70700165
  -OEChem-05042420332D

 66 71  0     1  0  0  0  0  0999 V2000
    5.9302    6.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8242    4.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    4.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   -2.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3549   -3.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1822    3.3009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4598    1.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9489   -4.5469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0482    2.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452    2.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503    1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9143    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8243    4.8077    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8390    1.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0482    4.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9143    3.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1822    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    0.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    3.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322    5.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0152   -0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8323    5.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451    0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    0.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -6.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428   -5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1218   -6.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9539   -4.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5328   -5.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5606   -1.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042    3.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -0.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   -1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -3.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598   -1.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0798    3.1346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087    2.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512    2.9909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7845    3.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7937    4.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142    6.4228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230    5.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    1.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184    0.8523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -6.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949   -6.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305   -5.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101   -6.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756   -6.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7227   -6.4231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530   -4.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0452   -5.7078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656   -4.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432   -1.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709    3.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4880    2.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3376    2.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1280    4.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3076   -0.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368    0.0457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408   -0.7768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5632   -0.4727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6257   -2.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 14  1  0  0  0  0
  2 61  1  0  0  0  0
  3 18  2  0  0  0  0
  4 34  1  0  0  0  0
  4 36  1  0  0  0  0
  5 23  2  0  0  0  0
  6 36  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8 15  2  0  0  0  0
  8 24  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 36  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 32  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 31  1  0  0  0  0
 24 33  1  0  0  0  0
 25 35  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 34  2  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 37  2  0  0  0  0
 33 62  1  0  0  0  0
 34 37  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 37 66  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70700165

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1050

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8WIECAAAAAFix8AAAHgAACAAADEzhngYyzvMIFgCoAyXyXAKCiCAhIiAImCF+bNgNZvbE8Zuecihm5hHL+QewwPAOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
1-piperidinecarboxylic acid (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0<SUP>2,11</SUP>.0<SUP>4,9</SUP>.0<SUP>15,20</SUP>]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_NAME>
(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[10,19-diethyl-19-oxidanyl-14,18-bis(oxidanylidene)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] piperidine-1-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
piperidine-1-carboxylic acid (10,19-diethyl-19-hydroxy-14,18-diketo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H29N3O6/c1-3-17-18-12-16(37-27(34)30-10-6-5-7-11-30)8-9-22(18)29-24-19(17)14-31-23(24)13-21-20(25(31)32)15-36-26(33)28(21,35)4-2/h8-9,12-13,35H,3-7,10-11,14-15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
IUZFOHFXIMISQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
503.20563565

> <PUBCHEM_MOLECULAR_FORMULA>
C28H29N3O6

> <PUBCHEM_MOLECULAR_WEIGHT>
503.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCCCC6

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCCCC6

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
503.20563565

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  17  8
12  15  8
12  19  8
13  16  8
13  17  8
16  18  8
19  22  8
14  2  3
22  24  8
22  31  8
24  33  8
31  34  8
33  37  8
34  37  8
7  10  8
7  18  8
8  15  8
8  24  8

$$$$