化学式

CAS号

IUPAC Name

(1R,2R,5S,7R,8R,9R,11R,12E,13S,14R)-12-[3-(1-氨基-4-基)丙-2-ynoxyimino]-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-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)-12-[3-(1-aminoisoquinolin-4-yl)prop-2-ynoxyimino]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,6,16-trione

InChI

InChI=1S/C43H59FN4O11/c1-12-31-43(8)36(58-40(52)59-43)25(4)32(47-54-19-15-16-27-22-46-37(45)29-18-14-13-17-28(27)29)23(2)21-41(6,53-11)35(26(5)34(50)42(7,44)39(51)56-31)57-38-33(49)30(48(9)10)20-24(3)55-38/h13-14,17-18,22-26,30-31,33,35-36,38,49H,12,19-21H2,1-11H3,(H2,45,46)/b47-32+/t23-,24-,25+,26+,30+,31-,33-,35-,36-,38+,41-,42+,43-/m1/s1

InChI Key

IKUZUGKTXFJQDC-IBSWVFLYSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC#CC3=CN=C(C4=CC=CC=C43)N)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

别名

• CHEMBL4529087