60192441
  -OEChem-05042400282D

 68 73  0     1  0  0  0  0  0999 V2000
    8.1286    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -2.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6286   -4.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    2.1665    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2626   -0.7477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.4713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -4.7865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.6665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9946    2.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3607    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8607    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    3.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196   -3.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9376   -3.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685   -3.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8887   -3.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.5839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    1.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171    0.3978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   -0.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4081    0.3978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0211    2.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.9765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    3.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    3.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8857    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8356    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433    1.9545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9683    2.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    4.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    3.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -0.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    4.0111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    2.0812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655   -1.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    4.7865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.1238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -0.9439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -0.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5601   -2.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7789   -3.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1769   -4.1161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0803   -4.1161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4783   -3.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6971   -2.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 59  1  0  0  0  0
  2 24  2  0  0  0  0
  3 29  1  0  0  0  0
  3 33  1  0  0  0  0
  4  9  1  0  0  0  0
  4 31  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  0  0  0  0
  7 26  1  0  0  0  0
  8 24  1  0  0  0  0
  8 30  1  0  0  0  0
  8 57  1  0  0  0  0
  9 32  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 18  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  6  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 25 28  2  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60192441

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
805

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAGABYAWLAAAA8QAAAAAAAAFgB/AAAHgAUCAAADyzhngYzxvPcFgCpA6RyVgCCiCAlMiAo2CG/fNqOdvrE8buUcahuxpvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-2-(cyclopropylmethyl)-<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]-1&apos;-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-2-(cyclopropylmethyl)-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]-1'-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-2-(cyclopropylmethyl)-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]-1'-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33N5O4/c1-15-23(16(2)35-28-15)27-25(33)31-13-26(14-31)12-30(10-17-5-6-17)21(11-32)24-22(26)19-8-7-18(34-4)9-20(19)29(24)3/h7-9,17,21,32H,5-6,10-14H2,1-4H3,(H,27,33)/t21-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZTYLYBNEBJUKSD-NRFANRHFSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
479.25325455

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
479.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=NO1)C)NC(=O)N2CC3(C2)CN(C(C4=C3C5=C(N4C)C=C(C=C5)OC)CO)CC6CC6

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=NO1)C)NC(=O)N2CC3(C2)CN([C@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO)CC6CC6

> <PUBCHEM_CACTVS_TPSA>
96

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
479.25325455

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
14  18  8
14  21  8
16  23  6
21  22  8
21  25  8
22  27  8
25  28  8
27  29  8
28  29  8
30  31  8
30  32  8
4  31  8
4  9  8
7  18  8
7  22  8
9  32  8

$$$$