(3S)-3-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid; methanesulfonic acid

Systemtic Name: (3S)-3-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid; methanesulfonic acid Openeye Name: (3S)-3-amino-4-benzyloxy-4-oxo-butanoic acid; methanesulfonic acid CAS Name: (3S)-3-amino-4-oxo-4-phenylmethoxybutanoic acid; methanesulfonic acid IUPAC Name: (3S)-3-amino-4-oxo-4-phenylmethoxybutanoic acid; methanesulfonic acid Traditional Name: (3S)-3-amino-4-benzoxy-4-keto-butyric acid; mesylic acid Formula: C12H17NO7S MolecularWeight: 319.33088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CC(=O)O)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C11H13NO4.CH4O3S/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,9H,6-7,12H2,(H,13,14);1H3,(H,2,3,4)/t9-;/m0./s1