化学式

CAS号

IUPAC Name

6-[(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]喹啉-3-羧酸 6-[(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]quinoline-3-carboxylic acid

InChI

InChI=1S/C44H60FN3O13/c1-12-32-44(8)37(60-41(54)61-44)25(4)33(47-55-11)23(2)21-42(6,56-17-13-14-27-15-16-30-28(19-27)20-29(22-46-30)38(51)52)36(26(5)35(50)43(7,45)40(53)58-32)59-39-34(49)31(48(9)10)18-24(3)57-39/h13-16,19-20,22-26,31-32,34,36-37,39,49H,12,17-18,21H2,1-11H3,(H,51,52)/b14-13+,47-33+/t23-,24-,25+,26+,31+,32-,34-,36-,37-,39+,42-,43+,44-/m1/s1

InChI Key

OQPBMZIJHOPYCM-JWTZDKHSSA-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=CC5=CC(=CN=C5C=C4)C(=O)O)C)C)OC(=O)O2)C

别名

• CHEMBL4560820