(2S,3R)-2-azanyl-4-ethoxy-3-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: (2S,3R)-2-azanyl-4-ethoxy-3-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: (2S,3R)-2-amino-4-ethoxy-3-(4-methoxyanilino)-4-oxo-butanoic acid hydrochloride CAS Name: (2S,3R)-2-amino-4-ethoxy-3-(4-methoxyanilino)-4-oxobutanoic acid hydrochloride IUPAC Name: (2S,3R)-2-amino-4-ethoxy-3-(4-methoxyanilino)-4-oxobutanoic acid hydrochloride Traditional Name: (2S,3R)-2-amino-4-ethoxy-4-keto-3-(p-anisidino)butyric acid hydrochloride Formula: C13H19ClN2O5 MolecularWeight: 318.75336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)O)N)NC1=CC=C(C=C1)OC.Cl

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C(=O)O)N)NC1=CC=C(C=C1)OC.Cl

InChI

InChI=1S/C13H18N2O5.ClH/c1-3-20-13(18)11(10(14)12(16)17)15-8-4-6-9(19-2)7-5-8;/h4-7,10-11,15H,3,14H2,1-2H3,(H,16,17);1H/t10-,11+;/m0./s1