2-acetyloxy-5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 2-acetyloxy-5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 2-acetoxy-5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 2-acetyloxy-5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 2-acetyloxy-5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 2-acetoxy-5-[(2S)-2-amino-3-hydroxy-3-keto-propyl]benzoic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H13NO6/c1-6(14)19-10-3-2-7(4-8(10)11(15)16)5-9(13)12(17)18/h2-4,9H,5,13H2,1H3,(H,15,16)(H,17,18)/t9-/m0/s1