
 CHEMBL3144491

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3144491

>  <PubChem CID>
90663958

>  <Formula>
C30H34N4O2

>  <Molecular Weight>
482.628000

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

>  <XlogP>
4.200

>  <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)NCCC4=CC=CC=C4

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H34N4O2/c1-22(31-18-16-23-10-4-2-5-11-23)29(35)34-28(20-25-21-33-27-15-9-8-14-26(25)27)30(36)32-19-17-24-12-6-3-7-13-24/h2-15,21-22,28,31,33H,16-20H2,1H3,(H,32,36)(H,34,35)/t22-,28-/m0/s1

>  <InChI Key>
CVEMWPNQHFKFCM-DWACAAAGSA-N

