(2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoic acid hydrochloride

Systemtic Name: (2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoic acid hydrochloride Openeye Name: (2S)-2-amino-3-(3,4-diacetoxyphenyl)propanoic acid hydrochloride CAS Name: (2S)-2-amino-3-(3,4-diacetyloxyphenyl)propanoic acid hydrochloride IUPAC Name: (2S)-2-amino-3-(3,4-diacetyloxyphenyl)propanoic acid hydrochloride Traditional Name: (2S)-2-amino-3-(3,4-diacetoxyphenyl)propionic acid hydrochloride Formula: C13H16ClNO6 MolecularWeight: 317.72224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)N)OC(=O)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6.ClH/c1-7(15)19-11-4-3-9(5-10(14)13(17)18)6-12(11)20-8(2)16;/h3-4,6,10H,5,14H2,1-2H3,(H,17,18);1H/t10-;/m0./s1