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-9-甲氧基-12-甲氧基亚氨基-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]3-[[(E)-3-吡啶-3-ylprop-2-烯基]氨基]丙酸酯 [(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-9-methoxy-12-methoxyimino-1,5,7,9,11,13-hexamethyl-4,16-dioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] 3-[[(E)-3-pyridin-3-ylprop-2-enyl]amino]propanoate

InChI

InChI=1S/C43H68N4O12/c1-13-32-43(8)38(58-41(51)59-43)27(4)34(46-53-12)25(2)23-42(7,52-11)37(57-40-35(49)31(47(9)10)22-26(3)54-40)28(5)36(29(6)39(50)55-32)56-33(48)18-21-44-19-14-16-30-17-15-20-45-24-30/h14-17,20,24-29,31-32,35-38,40,44,49H,13,18-19,21-23H2,1-12H3/b16-14+,46-34+/t25-,26-,27+,28+,29-,31+,32-,35-,36+,37-,38-,40+,42-,43-/m1/s1

InChI Key

JMDJHGLGDDHSHW-LAJPERKBSA-N

Canonical SMILES

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

别名

• CHEMBL4545550