53393835
  -OEChem-04242418182D

 66 70  0     1  0  0  0  0  0999 V2000
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    7.7864    1.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0890   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0890   -2.5387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3852    0.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   -0.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6312   -1.1407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4620    0.4685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4402    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7974    1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8029    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6164    2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2151    1.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218    2.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -1.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827   -2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785   -0.7112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9839   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3797    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9675   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1428   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1428   -2.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2767   -2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6726   -1.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    1.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6348    2.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1736    3.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4455    3.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7011    2.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844    1.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6651    3.2479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202    2.7794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151   -0.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -0.5537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911   -3.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491   -2.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6140   -0.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.9077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9416   -2.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0646   -1.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307   -2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0678   -1.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1384   -1.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8738   -2.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1335   -1.3192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 24  2  0  0  0  0
  3 31  1  0  0  0  0
  3 34  1  0  0  0  0
  4 32  1  0  0  0  0
  4 34  1  0  0  0  0
  5 11  1  0  0  0  0
 20  5  1  6  0  0  0
  5 24  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 56  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 12 15  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 16  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
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 17 46  1  0  0  0  0
 18 21  1  0  0  0  0
 18 47  1  0  0  0  0
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 19 22  1  0  0  0  0
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 20 25  1  0  0  0  0
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 21 22  1  0  0  0  0
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 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
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 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 62  1  0  0  0  0
 30 33  2  0  0  0  0
 30 63  1  0  0  0  0
 31 32  2  0  0  0  0
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 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53393835

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
714

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAeJEAAAwYAAAAAAAAEgBwAAAHgAYAAAADCzBmwczHofABACqAiNyMACSCAIgoAAciKGujJgdZqKEsTu0MCJk3hGOqAew0BAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-cyclohexyl-amino]-N-cyclopentyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-2-[[2-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]-1-oxoethyl]-cyclohexylamino]-N-cyclopentylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-cyclohexylamino]-<I>N</I>-cyclopentylpropanamide

> <PUBCHEM_IUPAC_NAME>
(2R)-2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-2-[2-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]ethanoyl-cyclohexyl-amino]-N-cyclopentyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-cyclohexyl-amino]-N-cyclopentyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H32N6O4/c1-16(24(32)25-18-7-5-6-8-18)30(19-9-3-2-4-10-19)22(31)14-29-27-23(26-28-29)17-11-12-20-21(13-17)34-15-33-20/h11-13,16,18-19H,2-10,14-15H2,1H3,(H,25,32)/t16-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RZNBRWZQSTXMIV-MRXNPFEDSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
468.24850352

> <PUBCHEM_MOLECULAR_FORMULA>
C24H32N6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
468.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(=O)NC1CCCC1)N(C2CCCCC2)C(=O)CN3N=C(N=N3)C4=CC5=C(C=C4)OCO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](C(=O)NC1CCCC1)N(C2CCCCC2)C(=O)CN3N=C(N=N3)C4=CC5=C(C=C4)OCO5

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
468.24850352

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  27  8
28  29  8
28  30  8
29  31  8
30  33  8
31  32  8
32  33  8
20  5  6
7  8  8
7  9  8
8  27  8
9  10  8

$$$$