(2S)-4-methyl-2-[[3-phenyl-1-(phenylmethyl)-5-pyrrol-1-yl-indol-2-yl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[3-phenyl-1-(phenylmethyl)-5-pyrrol-1-yl-indol-2-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-2-[(1-benzyl-3-phenyl-5-pyrrol-1-yl-indole-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[[oxo-[3-phenyl-1-(phenylmethyl)-5-(1-pyrrolyl)-2-indolyl]methyl]amino]pentanoic acid IUPAC Name: (2S)-2-[(1-benzyl-3-phenyl-5-pyrrol-1-ylindole-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(1-benzyl-3-phenyl-5-pyrrol-1-yl-indole-2-carbonyl)amino]-4-methyl-valeric acid Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H31N3O3/c1-22(2)19-27(32(37)38)33-31(36)30-29(24-13-7-4-8-14-24)26-20-25(34-17-9-10-18-34)15-16-28(26)35(30)21-23-11-5-3-6-12-23/h3-18,20,22,27H,19,21H2,1-2H3,(H,33,36)(H,37,38)/t27-/m0/s1