化学式

CAS号

IUPAC Name

[(1R,2R,5R,6S,7S,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-12-[3-(4-咪唑-1-苯基)丙-2-ynoxyimino]-9-甲氧基-1,5,7,9,11,13-六甲基-4,16-二氧代-3,15,17-trioxabicyclo[12.3.0]十七烷-6-基]2-吡啶-2-乙酸乙酯 [(1R,2R,5R,6S,7S,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-12-[3-(4-imidazol-1-ylphenyl)prop-2-ynoxyimino]-9-methoxy-1,5,7,9,11,13-hexamethyl-4,16-dioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] 2-pyridin-2-ylacetate

InChI

InChI=1S/C50H67N5O12/c1-12-39-50(8)45(66-48(59)67-50)32(4)41(53-61-25-15-16-35-18-20-37(21-19-35)55-24-23-51-29-55)30(2)28-49(7,60-11)44(65-47-42(57)38(54(9)10)26-31(3)62-47)33(5)43(34(6)46(58)63-39)64-40(56)27-36-17-13-14-22-52-36/h13-14,17-24,29-34,38-39,42-45,47,57H,12,25-28H2,1-11H3/b53-41+/t30-,31-,32+,33+,34-,38+,39-,42-,43+,44-,45-,47+,49-,50-/m1/s1

InChI Key

XQDBIYXNTDPYND-ACLHKBJYSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC#CC3=CC=C(C=C3)N4C=CN=C4)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC5=CC=CC=N5)C)OC6C(C(CC(O6)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

别名

• CHEMBL3612640