化学式

CAS号

IUPAC Name

5-[(E)-3-[[(1R,2R,5S,7R,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(二甲基氨基)-3-羟基-6-methyloxan-2-基]氧基-2-乙基-5-氟-12-甲氧基亚氨基-1,5,7,9,11,13-六甲基-4,6,16-三氧代-3,15,17-trioxabicyclo[12.3.0]十七烷-9-基]氧基]丙-1-烯基]吡啶-3-羧酸 5-[(E)-3-[[(1R,2R,5S,7R,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-12-methoxyimino-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl]oxy]prop-1-enyl]pyridine-3-carboxylic acid

InChI

InChI=1S/C40H58FN3O13/c1-12-28-40(8)33(56-37(50)57-40)23(4)29(43-51-11)21(2)18-38(6,52-15-13-14-25-17-26(34(47)48)20-42-19-25)32(24(5)31(46)39(7,41)36(49)54-28)55-35-30(45)27(44(9)10)16-22(3)53-35/h13-14,17,19-24,27-28,30,32-33,35,45H,12,15-16,18H2,1-11H3,(H,47,48)/b14-13+,43-29+/t21-,22-,23+,24+,27+,28-,30-,32-,33-,35+,38-,39+,40-/m1/s1

InChI Key

GEUREBBJRZYSOP-UPIOVWRISA-N

Canonical SMILES

CCC1C2(C(C(C(=NOC)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC(=CN=C4)C(=O)O)C)C)OC(=O)O2)C

别名

• CHEMBL4458095