(phenylmethyl) (3S)-3-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoate hydrochloride

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoate hydrochloride Openeye Name: benzyl (3S)-3-amino-4-(hydroxyamino)-4-oxo-butanoate hydrochloride CAS Name: (3S)-3-amino-4-(hydroxyamino)-4-oxobutanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl (3S)-3-amino-4-(hydroxyamino)-4-oxobutanoate hydrochloride Traditional Name: (3S)-3-amino-4-(hydroxyamino)-4-keto-butyric acid benzyl ester hydrochloride Formula: C11H15ClN2O4 MolecularWeight: 274.7008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NO)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)NO)N.Cl

InChI

InChI=1S/C11H14N2O4.ClH/c12-9(11(15)13-16)6-10(14)17-7-8-4-2-1-3-5-8;/h1-5,9,16H,6-7,12H2,(H,13,15);1H/t9-;/m0./s1