
 CHEMBL434391

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL434391

>  <PubChem CID>
10984260

>  <Formula>
C29H35N7O3

>  <Molecular Weight>
529.645000

>  <IUPAC Name>
N-[(2R)-1-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-aminopiperidine-4-carboxamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NC(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5(CCNCC5)N

>  <Isomeric SMILES>
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C5(CCNCC5)N

>  <InChI Std. ID>
InChI=1S/C29H35N7O3/c1-18(37)34-26(15-20-17-33-24-9-5-3-7-22(20)24)36-27(38)25(35-28(39)29(30)10-12-31-13-11-29)14-19-16-32-23-8-4-2-6-21(19)23/h2-9,16-17,25-26,31-33H,10-15,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26-/m1/s1

>  <InChI Key>
BGIJOXWSDSYECN-CLJLJLNGSA-N

