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

Systemtic Name: (2S)-4-methyl-2-[[1-methyl-3-phenyl-5-[(4-phenylphenyl)sulfonylamino]indol-2-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[1-methyl-3-phenyl-5-[(4-phenylphenyl)sulfonylamino]indole-2-carbonyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[[1-methyl-3-phenyl-5-[(4-phenylphenyl)sulfonylamino]-2-indolyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[1-methyl-3-phenyl-5-[(4-phenylphenyl)sulfonylamino]indole-2-carbonyl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[1-methyl-3-phenyl-5-[(4-phenylphenyl)sulfonylamino]indole-2-carbonyl]amino]valeric acid Formula: C34H33N3O5S MolecularWeight: 595.70792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C2=C(N1C)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C2=C(N1C)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H33N3O5S/c1-22(2)20-29(34(39)40)35-33(38)32-31(25-12-8-5-9-13-25)28-21-26(16-19-30(28)37(32)3)36-43(41,42)27-17-14-24(15-18-27)23-10-6-4-7-11-23/h4-19,21-22,29,36H,20H2,1-3H3,(H,35,38)(H,39,40)/t29-/m0/s1