(2S,4S)-2-amino-4-{[4-(trifluoromethyl)phenyl]methyl}pentanedioic acid

CAS: 1233518-19-8

Formula: C13H14F3NO4

SMILES: N[C@@H](C[C@H](CC1=CC=C(C=C1)C(F)(F)F)C(O)=O)C(O)=O

IUPAC: (2S,4S)-2-amino-4-{[4-(trifluoromethyl)phenyl]methyl}pentanedioic acid

InChI: InChI=1S/C13H14F3NO4/c14-13(15,16)9-3-1-7(2-4-9)5-8(11(18)19)6-10(17)12(20)21/h1-4,8,10H,5-6,17H2,(H,18,19)(H,20,21)/t8-,10-/m0/s1

Composition: C (51.15%), H (4.62%), F (18.67%), N (4.59%), O (20.96%)

Molar Mass: 305.253

Atom Count: 35

Heavy Atom Count: 21