化学式

CAS号

IUPAC Name

5-[3-[(E)-[(1R,2R,5S,7R,8R,9R,11R,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-9-甲氧基-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-12-亚基]氨基]oxyprop-1-丙炔]吡啶-3-羧酰胺 5-[3-[(E)-[(1R,2R,5S,7R,8R,9R,11R,13S,14R)-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-4,6,16-trioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-12-ylidene]amino]oxyprop-1-ynyl]pyridine-3-carboxamide

InChI

InChI=1S/C40H57FN4O12/c1-12-28-40(8)33(56-37(50)57-40)23(4)29(44-52-15-13-14-25-17-26(34(42)48)20-43-19-25)21(2)18-38(6,51-11)32(24(5)31(47)39(7,41)36(49)54-28)55-35-30(46)27(45(9)10)16-22(3)53-35/h17,19-24,27-28,30,32-33,35,46H,12,15-16,18H2,1-11H3,(H2,42,48)/b44-29+/t21-,22-,23+,24+,27+,28-,30-,32-,33-,35+,38-,39+,40-/m1/s1

InChI Key

OZHNOXXASBYDNX-ZNCKCQHCSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC#CC3=CC(=CN=C3)C(=O)N)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

别名

• CHEMBL4443502