4-[[(2S,4S)-4-(2-oxidanylidene-2-sulfanyl-ethyl)-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]carbonylamino]quinoline-2-carboxylic acid

Systemtic Name: 4-[[(2S,4S)-4-(2-oxidanylidene-2-sulfanyl-ethyl)-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]carbonylamino]quinoline-2-carboxylic acid Openeye Name: 4-[[(2S,4S)-1-allyloxycarbonyl-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]quinoline-2-carboxylic acid CAS Name: 4-[[[(2S,4S)-4-(2-mercapto-2-oxoethyl)-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-quinolinecarboxylic acid IUPAC Name: 4-[[(2S,4S)-4-(2-oxo-2-sulfanylethyl)-1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl]amino]quinoline-2-carboxylic acid Traditional Name: 4-[[(2S,4S)-1-allyloxycarbonyl-4-(2-keto-2-mercapto-ethyl)prolyl]amino]quinaldic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NC2=CC(=NC3=CC=CC=C32)C(=O)O)CC(=O)S

Isomeric SMILES

C=CCOC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC(=NC3=CC=CC=C32)C(=O)O)CC(=O)S

InChI

InChI=1S/C21H21N3O6S/c1-2-7-30-21(29)24-11-12(9-18(25)31)8-17(24)19(26)23-15-10-16(20(27)28)22-14-6-4-3-5-13(14)15/h2-6,10,12,17H,1,7-9,11H2,(H,25,31)(H,27,28)(H,22,23,26)/t12-,17-/m0/s1