
 CHEMBL417947

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL417947

>  <PubChem CID>
44300748

>  <Formula>
C32H35N5O4

>  <Molecular Weight>
553.663000

>  <IUPAC Name>
N-[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[(2-phenylacetyl)amino]pentanediamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)

>  <InChI Key>
BCRZWUKUZGBBLX-UHFFFAOYSA-N

