
 CHEMBL264821

 80 84  0  0  0  0  0  0  0  0999 V2000
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    4.0828   13.5765    2.9368 H   0  0  0  0  0
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    6.0698    5.3639    2.0387 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL264821

>  <PubChem CID>
44306435

>  <Formula>
C34H38N4O4

>  <Molecular Weight>
566.702000

>  <IUPAC Name>
(4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(1-propan-2-ylindole-3-carbonyl)pyrrolidine-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC=CC=C4)C(=O)N(C)CC5=CC=CC=C5)O

>  <Isomeric SMILES>
CC(C)N1C=C(C2=CC=CC=C21)C(=O)N3C[C@@H](CC3C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N(C)CC5=CC=CC=C5)O

>  <InChI Std. ID>
InChI=1S/C34H38N4O4/c1-23(2)37-22-28(27-16-10-11-17-30(27)37)33(41)38-21-26(39)19-31(38)32(40)35-29(18-24-12-6-4-7-13-24)34(42)36(3)20-25-14-8-5-9-15-25/h4-17,22-23,26,29,31,39H,18-21H2,1-3H3,(H,35,40)/t26-,29-,31?/m1/s1

>  <InChI Key>
CAWAMDJVBURMIX-OYASOLBTSA-N

