4-[3-[[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]methyl]-4-oxidanyl-4-oxidanylidene-butanoyl]benzoic acid

Systemtic Name: 4-[3-[[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]methyl]-4-oxidanyl-4-oxidanylidene-butanoyl]benzoic acid Openeye Name: 4-[3-[[[(2R)-2-amino-3-hydroxy-3-oxo-propyl]disulfanyl]methyl]-4-hydroxy-4-oxo-butanoyl]benzoic acid CAS Name: 4-[3-[[[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanyl]methyl]-4-hydroxy-1,4-dioxobutyl]benzoic acid IUPAC Name: 4-[3-[[[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanyl]methyl]-4-hydroxy-4-oxobutanoyl]benzoic acid Traditional Name: 4-[3-[[[(2R)-2-amino-3-hydroxy-3-keto-propyl]disulfanyl]methyl]-4-hydroxy-4-keto-butanoyl]benzoic acid Formula: C15H17NO7S2 MolecularWeight: 387.42798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(CSSCC(C(=O)O)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(CSSC[C@@H](C(=O)O)N)C(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO7S2/c16-11(15(22)23)7-25-24-6-10(14(20)21)5-12(17)8-1-3-9(4-2-8)13(18)19/h1-4,10-11H,5-7,16H2,(H,18,19)(H,20,21)(H,22,23)/t10?,11-/m0/s1