
 CHEMBL175651

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

>  <Chemical Name>
CHEMBL175651

>  <PubChem CID>
44387452

>  <Formula>
C31H34N6O3

>  <Molecular Weight>
538.652000

>  <IUPAC Name>
(2R)-3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]amino]carbamoylamino]propanamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNC(C2=CC=CC=C21)CC(=O)NNC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCCC5=CC=CC=C5

>  <Isomeric SMILES>
C1CNC(C2=CC=CC=C21)CC(=O)NNC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)NCCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32-27)36-37-31(40)35-28(18-23-20-34-26-13-7-6-12-25(23)26)30(39)33-16-14-21-8-2-1-3-9-21/h1-13,20,27-28,32,34H,14-19H2,(H,33,39)(H,36,38)(H2,35,37,40)/t27?,28-/m1/s1

>  <InChI Key>
GMQWNNZLXYAXAF-PLYLYKGUSA-N

