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

Systemtic Name: 5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-methoxy-benzoic acid hydrochloride Openeye Name: 5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-2-methoxy-benzoic acid hydrochloride CAS Name: 5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2-methoxybenzoic acid hydrochloride IUPAC Name: 5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2-methoxybenzoic acid hydrochloride Traditional Name: 5-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-2-methoxy-benzoic acid hydrochloride Formula: C11H14ClNO5 MolecularWeight: 275.68556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O.Cl

Isomeric SMILES

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

InChI

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