5-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]isophthalic acid Formula: C15H14N2O8S MolecularWeight: 382.34526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)SCC(C(=O)O)N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)SCC(C(=O)O)N

InChI

InChI=1S/C15H14N2O8S/c16-9(15(24)25)5-26-10-4-11(18)17(12(10)19)8-2-6(13(20)21)1-7(3-8)14(22)23/h1-3,9-10H,4-5,16H2,(H,20,21)(H,22,23)(H,24,25)