
 CHEMBL59187

 67 71  0  0  0  0  0  0  0  0999 V2000
    5.1611   -1.8269   -6.5830 C   0  0  0  0  0
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    4.5837   -0.6362   -2.0514 H   0  0  0  0  0
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    5.8820    2.7341    1.1528 H   0  0  0  0  0
    3.9299    4.1589    1.8013 H   0  0  0  0  0
    1.3762    3.8974    2.9475 H   0  0  0  0  0
   -0.1968    2.1642    3.7920 H   0  0  0  0  0
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   11.5944   -6.8446    6.7792 H   0  0  0  0  0
   12.3361   -4.5201    6.3964 H   0  0  0  0  0
   11.8488   -3.3778    4.2516 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3  4  2  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
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 35 66  1  0  0  0
 36 37  2  0  0  0
 36 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL59187

>  <PubChem CID>
44301562

>  <Formula>
C30H30N4O3

>  <Molecular Weight>
494.595000

>  <IUPAC Name>
2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCCC4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCCC4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C30H30N4O3/c35-29(31-16-14-21-8-2-1-3-9-21)28(18-23-20-33-27-13-7-5-11-25(23)27)34-30(36)37-17-15-22-19-32-26-12-6-4-10-24(22)26/h1-13,19-20,28,32-33H,14-18H2,(H,31,35)(H,34,36)/t28-/m0/s1

>  <InChI Key>
CIYKHIHQWBCGKL-NDEPHWFRSA-N

