
 CHEMBL303116

 69 72  0  0  0  0  0  0  0  0999 V2000
    3.4589   -0.5555    0.3801 C   0  0  0  0  0
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   -1.6359   -8.0911   -7.8667 H   0  0  0  0  0
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    0.7757    6.7318    1.8151 H   0  0  0  0  0
    1.9432    4.6855    1.0570 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2 26  1  0  0  0
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 31 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL303116

>  <PubChem CID>
44306226

>  <Formula>
C30H32N4O3

>  <Molecular Weight>
496.611000

>  <IUPAC Name>
N-[1-[[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-1H-indole-3-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)CC2=CC=CC=C2)NC(=O)C3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N(C)CC2=CC=CC=C2)NC(=O)C3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C30H32N4O3/c1-30(2,33-27(35)24-19-31-25-17-11-10-16-23(24)25)29(37)32-26(18-21-12-6-4-7-13-21)28(36)34(3)20-22-14-8-5-9-15-22/h4-17,19,26,31H,18,20H2,1-3H3,(H,32,37)(H,33,35)/t26-/m1/s1

>  <InChI Key>
ADROAEPHWXPRTM-AREMUKBSSA-N

