60192356
  -OEChem-04252406232D

 69 73  0     1  0  0  0  0  0999 V2000
    6.3966    3.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3094    2.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8094    3.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4503    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    2.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6402    1.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    3.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8481    0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0881    3.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   -0.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   -0.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -0.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -0.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.7548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    3.4917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    2.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -2.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -2.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.0271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5180   -3.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9166   -4.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    4.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6846   -4.8040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -4.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046   -3.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417    0.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9770    0.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4546    0.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5029    4.2715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6273    4.2256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6732    3.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 57  1  0  0  0  0
  2 20  2  0  0  0  0
  3 22  2  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5 10  1  0  0  0  0
  5 32  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 22  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 24  1  0  0  0  0
  9 22  1  0  0  0  0
  9 30  1  0  0  0  0
  9 54  1  0  0  0  0
 10 33  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  6  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 27  2  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 29  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60192356

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
838

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAABYAWLAAAA8QAAAAAAAAFgB/AAAHgAUCAAADizhngYzxvPcFgCpA6VyVgCCiCAlMiAo2CG/fNqOdvrE8buUcahuxpvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-1'-butanoyl-N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxobutyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1&apos;-butanoyl-<I>N</I>-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3&apos;-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-1'-butanoyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1'-butanoyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-1'-butyryl-N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33N5O5/c1-6-7-21(33)30-12-26(13-30)14-31(25(34)27-23-15(2)28-36-16(23)3)20(11-32)24-22(26)18-9-8-17(35-5)10-19(18)29(24)4/h8-10,20,32H,6-7,11-14H2,1-5H3,(H,27,34)/t20-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PBDNYDHNDHFDAV-FQEVSTJZSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
495.24816917

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33N5O5

> <PUBCHEM_MOLECULAR_WEIGHT>
495.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC(=O)N1CC2(C1)CN(C(C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)NC5=C(ON=C5C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)NC5=C(ON=C5C)C

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
495.24816917

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  33  8
14  16  8
14  18  8
17  21  6
18  19  8
18  23  8
19  26  8
23  27  8
26  28  8
27  28  8
30  32  8
30  33  8
5  10  8
5  32  8
8  16  8
8  19  8

$$$$