(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-cyanophenyl)propanoic acid

CAS: 131669-07-3

Formula: C18H16N2O4

SMILES: OC(=O)[C@H](CC1=CC=C(C=C1)C#N)NC(=O)OCC1=CC=CC=C1

IUPAC: (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-cyanophenyl)propanoic acid

InChI: InChI=1S/C18H16N2O4/c19-11-14-8-6-13(7-9-14)10-16(17(21)22)20-18(23)24-12-15-4-2-1-3-5-15/h1-9,16H,10,12H2,(H,20,23)(H,21,22)/t16-/m0/s1

Composition: C (66.66%), H (4.97%), N (8.64%), O (19.73%)

Molar Mass: 324.336

Atom Count: 40

Heavy Atom Count: 24