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

Systemtic Name: 5-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]-2-hydroxy-benzoic acid Formula: C14H14N2O7S MolecularWeight: 354.33516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O7S/c15-8(14(22)23)5-24-10-4-11(18)16(12(10)19)6-1-2-9(17)7(3-6)13(20)21/h1-3,8,10,17H,4-5,15H2,(H,20,21)(H,22,23)