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

Systemtic Name: 6-azanyl-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[3-(1H-indol-3-yl)-1-oxo-2-[(4-phenylphenyl)methylamino]propyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-phenylphenyl)methylamino]propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-phenylbenzyl)amino]propanoyl]amino]hexanoic acid Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C30H34N4O3/c31-17-7-6-12-27(30(36)37)34-29(35)28(18-24-20-33-26-11-5-4-10-25(24)26)32-19-21-13-15-23(16-14-21)22-8-2-1-3-9-22/h1-5,8-11,13-16,20,27-28,32-33H,6-7,12,17-19,31H2,(H,34,35)(H,36,37)