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]-1-乙基-N-甲基-4-羟基-3-羧酰胺 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]-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide

InChI

InChI=1S/C47H67FN4O13/c1-14-34-47(9)40(64-44(58)65-47)27(5)35(50-59-13)25(3)23-45(7,60-20-16-17-29-18-19-32-30(22-29)36(53)31(41(56)49-10)24-52(32)15-2)39(28(6)38(55)46(8,48)43(57)62-34)63-42-37(54)33(51(11)12)21-26(4)61-42/h16-19,22,24-28,33-34,37,39-40,42,54H,14-15,20-21,23H2,1-13H3,(H,49,56)/b17-16+,50-35+/t25-,26-,27+,28+,33+,34-,37-,39-,40-,42+,45-,46+,47-/m1/s1

InChI Key

SSTZRPBHSBZFKQ-UEBKNVTPSA-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=C(C=C4)N(C=C(C5=O)C(=O)NC)CC)C)C)OC(=O)O2)C

别名

• CHEMBL4461768