Catalog Number:
AG002EKY
Chemical Name:
β-D-Glucopyranosiduronic acid, 4-[(2S,3R)-3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxo-2-azetidinyl]phenyl, methyl ester, 2,3,4-triacetate
CAS Number:
190448-56-7
Molecular Formula:
C39H39F2NO13
Molecular Weight:
767.7227
MDL Number:
MFCD23160223
IUPAC Name:
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate
InChI:
InChI=1S/C39H39F2NO13/c1-20(43)50-31(24-6-10-26(40)11-7-24)19-18-30-32(42(37(30)47)28-14-12-27(41)13-15-28)25-8-16-29(17-9-25)54-39-36(53-23(4)46)34(52-22(3)45)33(51-21(2)44)35(55-39)38(48)49-5/h6-17,30-36,39H,18-19H2,1-5H3/t30-,31+,32-,33+,34+,35+,36-,39-/m1/s1
InChI Key:
NZXOBPVQKQLFNG-HOEWMZCESA-N
SMILES:
COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2[C@@H](CC[C@@H](c3ccc(cc3)F)OC(=O)C)C(=O)N2c2ccc(cc2)F)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
