
 CHEMBL302892

 83 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL302892

>  <PubChem CID>
44306252

>  <Formula>
C37H38N4O4

>  <Molecular Weight>
602.735000

>  <IUPAC Name>
(4R)-N-[(2R)-1-[benzyl(methyl)amino]-3-(6-methylnaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C=C(C=C2)CC(C(=O)N(C)CC3=CC=CC=C3)NC(=O)C4CC(CN4C(=O)C5=CN(C6=CC=CC=C65)C)O

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)C=C(C=C2)C[C@H](C(=O)N(C)CC3=CC=CC=C3)NC(=O)C4C[C@H](CN4C(=O)C5=CN(C6=CC=CC=C65)C)O

>  <InChI Std. ID>
InChI=1S/C37H38N4O4/c1-24-13-15-28-18-26(14-16-27(28)17-24)19-32(37(45)40(3)21-25-9-5-4-6-10-25)38-35(43)34-20-29(42)22-41(34)36(44)31-23-39(2)33-12-8-7-11-30(31)33/h4-18,23,29,32,34,42H,19-22H2,1-3H3,(H,38,43)/t29-,32-,34?/m1/s1

>  <InChI Key>
AGDACNVYIDABFF-INCBRJRSSA-N

