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

Systemtic Name: 2-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-5-methoxy-3,4-bis(oxidanyl)benzoic acid Openeye Name: 2-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-3,4-dihydroxy-5-methoxy-benzoic acid CAS Name: 2-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-3,4-dihydroxy-5-methoxybenzoic acid IUPAC Name: 2-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-3,4-dihydroxy-5-methoxybenzoic acid Traditional Name: 2-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-3,4-dihydroxy-5-methoxy-benzoic acid Formula: C11H13NO7S MolecularWeight: 303.28842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)SCC(C(=O)O)N)O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)SC[C@@H](C(=O)O)N)O)O

InChI

InChI=1S/C11H13NO7S/c1-19-6-2-4(10(15)16)9(8(14)7(6)13)20-3-5(12)11(17)18/h2,5,13-14H,3,12H2,1H3,(H,15,16)(H,17,18)/t5-/m0/s1