ethyl 2-[[3-azanyl-2-oxidanyl-4-(phenylmethylsulfanyl)butanoyl]amino]propanoate hydrochloride

Systemtic Name: ethyl 2-[[3-azanyl-2-oxidanyl-4-(phenylmethylsulfanyl)butanoyl]amino]propanoate hydrochloride Openeye Name: ethyl 2-[(3-amino-4-benzylsulfanyl-2-hydroxy-butanoyl)amino]propanoate hydrochloride CAS Name: 2-[[3-amino-2-hydroxy-1-oxo-4-(phenylmethylthio)butyl]amino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(3-amino-4-benzylsulfanyl-2-hydroxybutanoyl)amino]propanoate hydrochloride Traditional Name: 2-[[3-amino-4-(benzylthio)-2-hydroxy-butanoyl]amino]propionic acid ethyl ester hydrochloride Formula: C16H25ClN2O4S MolecularWeight: 376.8987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C(C(CSCC1=CC=CC=C1)N)O.Cl

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C(C(CSCC1=CC=CC=C1)N)O.Cl

InChI

InChI=1S/C16H24N2O4S.ClH/c1-3-22-16(21)11(2)18-15(20)14(19)13(17)10-23-9-12-7-5-4-6-8-12;/h4-8,11,13-14,19H,3,9-10,17H2,1-2H3,(H,18,20);1H