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

Systemtic Name: (2S)-2-[[5-[(4-tert-butylphenyl)sulfonylamino]-1-methyl-3-phenyl-indol-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[5-[(4-tert-butylphenyl)sulfonylamino]-1-methyl-3-phenyl-indole-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[5-[(4-tert-butylphenyl)sulfonylamino]-1-methyl-3-phenyl-2-indolyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[5-[(4-tert-butylphenyl)sulfonylamino]-1-methyl-3-phenylindole-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[5-[(4-tert-butylphenyl)sulfonylamino]-1-methyl-3-phenyl-indole-2-carbonyl]amino]-4-methyl-valeric acid Formula: C32H37N3O5S MolecularWeight: 575.71828

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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)C(C)(C)C)C4=CC=CC=C4

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)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C32H37N3O5S/c1-20(2)18-26(31(37)38)33-30(36)29-28(21-10-8-7-9-11-21)25-19-23(14-17-27(25)35(29)6)34-41(39,40)24-15-12-22(13-16-24)32(3,4)5/h7-17,19-20,26,34H,18H2,1-6H3,(H,33,36)(H,37,38)/t26-/m0/s1