methyl 6-azanyl-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoate Openeye Name: methyl 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoate CAS Name: 6-amino-2-[[3-(1H-indol-3-yl)-1-oxo-2-[(4-phenylphenyl)methylamino]propyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoate Traditional Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-phenylbenzyl)amino]propanoyl]amino]hexanoic acid methyl ester Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O3/c1-38-31(37)28(13-7-8-18-32)35-30(36)29(19-25-21-34-27-12-6-5-11-26(25)27)33-20-22-14-16-24(17-15-22)23-9-3-2-4-10-23/h2-6,9-12,14-17,21,28-29,33-34H,7-8,13,18-20,32H2,1H3,(H,35,36)