化学式

CAS号

IUPAC Name

6-[(E)-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-烯基]-1-乙基-4-羟基-3-羧酰胺 6-[(E)-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-enyl]-1-ethyl-4-oxoquinoline-3-carboxamide

InChI

InChI=1S/C46H65FN4O13/c1-13-33-46(9)39(63-43(57)64-46)26(5)34(49-59-19-15-16-28-17-18-31-29(21-28)35(52)30(40(48)55)23-51(31)14-2)24(3)22-44(7,58-12)38(27(6)37(54)45(8,47)42(56)61-33)62-41-36(53)32(50(10)11)20-25(4)60-41/h15-18,21,23-27,32-33,36,38-39,41,53H,13-14,19-20,22H2,1-12H3,(H2,48,55)/b16-15+,49-34+/t24-,25-,26+,27+,32+,33-,36-,38-,39-,41+,44-,45+,46-/m1/s1

InChI Key

TVPXNYBCMNYMJE-RZOLVLFSSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC=CC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)N)CC)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

• CHEMBL4459487
• BDBM50511980