化学式

CAS号

IUPAC Name

(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-[(E)-3-(5-羟基吡啶-3-基)丙-2-enoxy]亚氨基-9-甲氧基-1,5,7,9,11,13-六甲基-3,15,17-trioxabicyclo[12.3.0]十七烷-4,6,16-三酮 (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-[(E)-3-(5-hydroxypyridin-3-yl)prop-2-enoxy]imino-9-methoxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,6,16-trione

InChI

InChI=1S/C39H58FN3O12/c1-12-28-39(8)33(54-36(48)55-39)23(4)29(42-50-15-13-14-25-17-26(44)20-41-19-25)21(2)18-37(6,49-11)32(24(5)31(46)38(7,40)35(47)52-28)53-34-30(45)27(43(9)10)16-22(3)51-34/h13-14,17,19-24,27-28,30,32-34,44-45H,12,15-16,18H2,1-11H3/b14-13+,42-29+/t21-,22-,23+,24+,27+,28-,30-,32-,33-,34+,37-,38+,39-/m1/s1

InChI Key

UAQOGAXXWFGDMI-RJRVZTOKSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC=CC3=CC(=CN=C3)O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

别名

• CHEMBL4439353