4-acetamido-2-[[4-(2-oxidanylidene-2-sulfanyl-ethyl)-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-acetamido-2-[[4-(2-oxidanylidene-2-sulfanyl-ethyl)-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-acetamido-2-[[1-allyloxycarbonyl-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-acetamido-2-[[[4-(2-mercapto-2-oxoethyl)-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-acetamido-2-[[4-(2-oxo-2-sulfanylethyl)-1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-acetamido-2-[[1-allyloxycarbonyl-4-(2-keto-2-mercapto-ethyl)prolyl]amino]benzoic acid Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

InChI

InChI=1S/C20H23N3O7S/c1-3-6-30-20(29)23-10-12(8-17(25)31)7-16(23)18(26)22-15-9-13(21-11(2)24)4-5-14(15)19(27)28/h3-5,9,12,16H,1,6-8,10H2,2H3,(H,21,24)(H,22,26)(H,25,31)(H,27,28)