2-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-3,4,5-tris(oxidanyl)benzoic acid

Systemtic Name: 2-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-3,4,5-tris(oxidanyl)benzoic acid Openeye Name: 2-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-3,4,5-trihydroxy-benzoic acid CAS Name: 2-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-3,4,5-trihydroxybenzoic acid IUPAC Name: 2-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-3,4,5-trihydroxybenzoic acid Traditional Name: 2-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-3,4,5-trihydroxy-benzoic acid Formula: C10H11NO7S MolecularWeight: 289.26184

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)O)O)SCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1O)O)O)SC[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C10H11NO7S/c11-4(10(17)18)2-19-8-3(9(15)16)1-5(12)6(13)7(8)14/h1,4,12-14H,2,11H2,(H,15,16)(H,17,18)/t4-/m0/s1