methyl 2-[[2-azanyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate hydrochloride

Systemtic Name: methyl 2-[[2-azanyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate hydrochloride Openeye Name: methyl 2-[(2-amino-3-benzoylsulfanyl-propanoyl)amino]acetate hydrochloride CAS Name: 2-[[2-amino-3-(benzoylthio)-1-oxopropyl]amino]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(2-amino-3-benzoylsulfanylpropanoyl)amino]acetate hydrochloride Traditional Name: 2-[[2-amino-3-(benzoylthio)propanoyl]amino]acetic acid methyl ester hydrochloride Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(CSC(=O)C1=CC=CC=C1)N.Cl

Isomeric SMILES

COC(=O)CNC(=O)C(CSC(=O)C1=CC=CC=C1)N.Cl

InChI

InChI=1S/C13H16N2O4S.ClH/c1-19-11(16)7-15-12(17)10(14)8-20-13(18)9-5-3-2-4-6-9;/h2-6,10H,7-8,14H2,1H3,(H,15,17);1H