(phenylmethyl) (3S)-3-azanyl-4-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[[(1S)-1-benzyl-3-chloro-2-oxo-propyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[[(1S)-1-benzyl-3-chloro-2-keto-propyl]amino]-4-keto-butyric acid benzyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C21H23ClN2O4/c22-13-19(25)18(11-15-7-3-1-4-8-15)24-21(27)17(23)12-20(26)28-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,23H2,(H,24,27)/t17-,18-/m0/s1