(2S)-2-[(1-methyl-3-phenyl-5-pyrrol-1-yl-indol-2-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(1-methyl-3-phenyl-5-pyrrol-1-yl-indol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(1-methyl-3-phenyl-5-pyrrol-1-yl-indole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-methyl-3-phenyl-5-(1-pyrrolyl)-2-indolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(1-methyl-3-phenyl-5-pyrrol-1-ylindole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(1-methyl-3-phenyl-5-pyrrol-1-yl-indole-2-carbonyl)amino]-3-phenyl-propionic acid Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N3C=CC=C3)C(=C1C(=O)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)N3C=CC=C3)C(=C1C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3/c1-31-25-15-14-22(32-16-8-9-17-32)19-23(25)26(21-12-6-3-7-13-21)27(31)28(33)30-24(29(34)35)18-20-10-4-2-5-11-20/h2-17,19,24H,18H2,1H3,(H,30,33)(H,34,35)/t24-/m0/s1