(2R)-2-[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]-3-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-oxidanylidene-azetidin-2-yl]phenyl]propanoic acid

Systemtic Name: (2R)-2-[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]-3-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-oxidanylidene-azetidin-2-yl]phenyl]propanoic acid Openeye Name: (2R)-2-[(3S,4R,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]-3-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-oxo-azetidin-2-yl]phenyl]propanoic acid CAS Name: (2R)-2-[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-oxanyl]-3-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-oxo-2-azetidinyl]phenyl]propanoic acid IUPAC Name: (2R)-2-[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]-3-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-oxoazetidin-2-yl]phenyl]propanoic acid Traditional Name: (2R)-2-[(3S,4R,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]-3-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-keto-azetidin-2-yl]phenyl]propionic acid Formula: C39H41F2NO10 MolecularWeight: 721.740346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(CO1)C(CC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)F)CCCC5=CC=C(C=C5)F)C(=O)O)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](CO1)[C@@H](CC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CCCC5=CC=C(C=C5)F)C(=O)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H41F2NO10/c1-22(43)49-21-34-37(52-24(3)45)36(51-23(2)44)33(20-50-34)32(39(47)48)19-26-7-11-27(12-8-26)35-31(6-4-5-25-9-13-28(40)14-10-25)38(46)42(35)30-17-15-29(41)16-18-30/h7-18,31-37H,4-6,19-21H2,1-3H3,(H,47,48)/t31-,32-,33-,34-,35-,36-,37+/m1/s1