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

Systemtic Name: 5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-2-hydroxy-3-methyl-benzoic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)O)N)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@@H](C(=O)O)N)C(=O)O)O

InChI

InChI=1S/C11H13NO5/c1-5-2-6(4-8(12)11(16)17)3-7(9(5)13)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1