5-[[(2S)-4-ethanoylsulfanylpyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[(2S)-4-ethanoylsulfanylpyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(2S)-4-acetylsulfanylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[(2S)-4-(acetylthio)-2-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(2S)-4-acetylsulfanylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(2S)-4-(acetylthio)prolyl]amino]isophthalic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(NC1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)SC1C[C@H](NC1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O6S/c1-7(18)24-11-5-12(16-6-11)13(19)17-10-3-8(14(20)21)2-9(4-10)15(22)23/h2-4,11-12,16H,5-6H2,1H3,(H,17,19)(H,20,21)(H,22,23)/t11?,12-/m0/s1