(phenylmethyl) (3S)-4-azanyl-3-(2-chloranylethanoylamino)-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-azanyl-3-(2-chloranylethanoylamino)-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-amino-3-[(2-chloroacetyl)amino]-4-oxo-butanoate CAS Name: (3S)-4-amino-3-[(2-chloro-1-oxoethyl)amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-amino-3-[(2-chloroacetyl)amino]-4-oxobutanoate Traditional Name: (3S)-4-amino-3-[(2-chloroacetyl)amino]-4-keto-butyric acid benzyl ester Formula: C13H15ClN2O4 MolecularWeight: 298.7222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)N)NC(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)N)NC(=O)CCl

InChI

InChI=1S/C13H15ClN2O4/c14-7-11(17)16-10(13(15)19)6-12(18)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,15,19)(H,16,17)/t10-/m0/s1