(2S)-2-amino-3-(4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-{3'-methoxy-[1,1'-biphenyl]-4-yl}ethoxy]pyrimidin-4-yl}phenyl)propanoic acid

CAS: 945976-76-1

Formula: C28H25F3N4O4

SMILES: COC1=CC(=CC=C1)C1=CC=C(C=C1)[C@@H](OC1=CC(=NC(N)=N1)C1=CC=C(C[C@H](N)C(O)=O)C=C1)C(F)(F)F

IUPAC: (2S)-2-amino-3-(4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-{3'-methoxy-[1,1'-biphenyl]-4-yl}ethoxy]pyrimidin-4-yl}phenyl)propanoic acid

InChI: InChI=1S/C28H25F3N4O4/c1-38-21-4-2-3-20(14-21)17-9-11-19(12-10-17)25(28(29,30)31)39-24-15-23(34-27(33)35-24)18-7-5-16(6-8-18)13-22(32)26(36)37/h2-12,14-15,22,25H,13,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25+/m0/s1

Composition: C (62.45%), H (4.68%), F (10.58%), N (10.40%), O (11.88%)

Molar Mass: 538.527

Atom Count: 64

Heavy Atom Count: 39