3-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid

Systemtic Name: 3-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 4-(4-isopropylanilino)-3-[methyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 3-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid Traditional Name: 4-cumidino-4-keto-3-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]butyric acid Formula: C29H33N3O6S2 MolecularWeight: 583.71882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)N(C)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)N(C)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C29H33N3O6S2/c1-18(2)19-8-11-22(12-9-19)30-28(35)25(16-27(33)34)31(3)29(36)26-15-23(39)17-32(26)40(37,38)24-13-10-20-6-4-5-7-21(20)14-24/h4-14,18,23,25-26,39H,15-17H2,1-3H3,(H,30,35)(H,33,34)