Catalog Number:
AG00C6FJ
Chemical Name:
Firategrast
CAS Number:
402567-16-2
Molecular Formula:
C27H27F2NO6
Molecular Weight:
499.5032
MDL Number:
MFCD19443754
IUPAC Name:
(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid
InChI:
InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1
InChI Key:
YLFZHHDVRSYTKT-NRFANRHFSA-N
SMILES:
CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F
UNII:
OJY3SK9H5F
