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

Systemtic Name: 4-[methyl-(phenylmethyl)amino]-3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl(methyl)amino]-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-[methyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl(methyl)amino]-3-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl(methyl)amino]-4-keto-3-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]butyric acid Formula: C27H29N3O6S2 MolecularWeight: 555.66566

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C27H29N3O6S2/c1-29(16-18-7-3-2-4-8-18)27(34)23(15-25(31)32)28-26(33)24-14-21(37)17-30(24)38(35,36)22-12-11-19-9-5-6-10-20(19)13-22/h2-13,21,23-24,37H,14-17H2,1H3,(H,28,33)(H,31,32)