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

Systemtic Name: 5-[[(2S,4S)-4-ethanoylsulfanyl-1-phenoxycarbonyl-pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(2S,4S)-4-acetylsulfanyl-1-phenoxycarbonyl-pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[(2S,4S)-4-(acetylthio)-1-[oxo(phenoxy)methyl]-2-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(2S,4S)-4-acetylsulfanyl-1-phenoxycarbonylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(2S,4S)-4-(acetylthio)-1-carbophenoxy-prolyl]amino]isophthalic acid Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O8S/c1-12(25)33-17-10-18(24(11-17)22(31)32-16-5-3-2-4-6-16)19(26)23-15-8-13(20(27)28)7-14(9-15)21(29)30/h2-9,17-18H,10-11H2,1H3,(H,23,26)(H,27,28)(H,29,30)/t17-,18-/m0/s1