4-[[2-azanyl-2-methyl-3-oxidanylidene-3-[1-(phenylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]propanoyl]-methyl-amino]benzoic acid

Systemtic Name: 4-[[2-azanyl-2-methyl-3-oxidanylidene-3-[1-(phenylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]propanoyl]-methyl-amino]benzoic acid Openeye Name: 4-[[2-amino-3-[1-(benzenesulfonyl)-4-sulfanyl-pyrrolidin-2-yl]-2-methyl-3-oxo-propanoyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-amino-3-[1-(benzenesulfonyl)-4-mercapto-2-pyrrolidinyl]-2-methyl-1,3-dioxopropyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-amino-3-[1-(benzenesulfonyl)-4-sulfanylpyrrolidin-2-yl]-2-methyl-3-oxopropanoyl]-methylamino]benzoic acid Traditional Name: 4-[[2-amino-3-(1-besyl-4-mercapto-pyrrolidin-2-yl)-3-keto-2-methyl-propanoyl]-methyl-amino]benzoic acid Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2)S)(C(=O)N(C)C3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2)S)(C(=O)N(C)C3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C22H25N3O6S2/c1-22(23,21(29)24(2)15-10-8-14(9-11-15)20(27)28)19(26)18-12-16(32)13-25(18)33(30,31)17-6-4-3-5-7-17/h3-11,16,18,32H,12-13,23H2,1-2H3,(H,27,28)