
 CHEMBL3144495

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3144495

>  <PubChem CID>
90663962

>  <Formula>
C29H32N4O2

>  <Molecular Weight>
468.601000

>  <IUPAC Name>
(2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCC4=CC=CC=C4

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H32N4O2/c1-21(31-19-23-12-6-3-7-13-23)28(34)33-27(18-24-20-32-26-15-9-8-14-25(24)26)29(35)30-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,31-32H,16-19H2,1H3,(H,30,35)(H,33,34)/t21-,27-/m0/s1

>  <InChI Key>
DBFWHAOBJXLIKL-IDISGSTGSA-N

