3-(1H-indol-3-yl)-2-[[2-[(2-methoxyphenyl)carbonyl-methyl-amino]-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-[(2-methoxyphenyl)carbonyl-methyl-amino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-[(2-methoxybenzoyl)-methyl-amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[[(2-methoxyphenyl)-oxomethyl]-methylamino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-[(2-methoxybenzoyl)-methylamino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[methyl(o-anisoyl)amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C4=CC=CC=C4OC

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C29H29N3O5/c1-32(28(34)22-13-7-9-15-26(22)37-2)25(16-19-10-4-3-5-11-19)27(33)31-24(29(35)36)17-20-18-30-23-14-8-6-12-21(20)23/h3-15,18,24-25,30H,16-17H2,1-2H3,(H,31,33)(H,35,36)