Catalog Number:
AG00960A
Chemical Name:
LP-533401 HCl
CAS Number:
1040526-12-2
Molecular Formula:
C27H23ClF4N4O3
Molecular Weight:
562.9431
MDL Number:
MFCD18803629
IUPAC Name:
(2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid;hydrochloride
InChI:
InChI=1S/C27H22F4N4O3.ClH/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37;/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35);1H/t21-,24?;/m0./s1
InChI Key:
BHBWZCUMIXCDPM-CHXZROHQSA-N
SMILES:
Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)OC(C(F)(F)F)c1ccc(cc1)c1cccc(c1)F.Cl
