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

Systemtic Name: 3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 4-(4-isopropylanilino)-3-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 3-[(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]amino]butyric acid Formula: C28H31N3O6S2 MolecularWeight: 569.69224

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31N3O6S2/c1-17(2)18-7-10-21(11-8-18)29-27(34)24(15-26(32)33)30-28(35)25-14-22(38)16-31(25)39(36,37)23-12-9-19-5-3-4-6-20(19)13-23/h3-13,17,22,24-25,38H,14-16H2,1-2H3,(H,29,34)(H,30,35)(H,32,33)