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

Systemtic Name: (2S)-3-phenyl-2-[[3-phenyl-1-(phenylmethyl)-5-pyrrol-1-yl-indol-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(1-benzyl-3-phenyl-5-pyrrol-1-yl-indole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[oxo-[3-phenyl-1-(phenylmethyl)-5-(1-pyrrolyl)-2-indolyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(1-benzyl-3-phenyl-5-pyrrol-1-ylindole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(1-benzyl-3-phenyl-5-pyrrol-1-yl-indole-2-carbonyl)amino]-3-phenyl-propionic acid Formula: C35H29N3O3 MolecularWeight: 539.62306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)N5C=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)N5C=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H29N3O3/c39-34(36-30(35(40)41)22-25-12-4-1-5-13-25)33-32(27-16-8-3-9-17-27)29-23-28(37-20-10-11-21-37)18-19-31(29)38(33)24-26-14-6-2-7-15-26/h1-21,23,30H,22,24H2,(H,36,39)(H,40,41)/t30-/m0/s1