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]N-[3-(5-氨基吡啶-3-基)丙基]氨基甲酯 [(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] N-[3-(5-aminopyridin-3-yl)propyl]carbamate

InChI

InChI=1S/C41H67N5O12/c1-13-30-41(8)35(57-39(50)58-41)24(4)31(45-52-12)22(2)19-40(7,51-11)34(56-37-32(47)29(46(9)10)17-23(3)53-37)25(5)33(26(6)36(48)54-30)55-38(49)44-16-14-15-27-18-28(42)21-43-20-27/h18,20-26,29-30,32-35,37,47H,13-17,19,42H2,1-12H3,(H,44,49)/b45-31+/t22-,23-,24+,25+,26-,29+,30-,32-,33+,34-,35-,37+,40-,41-/m1/s1

InChI Key

SGDJBRRNUKZCLP-JVEMVAEISA-N

Canonical SMILES

CCC1C2(C(C(C(=NOC)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCC3=CC(=CN=C3)N)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

别名

• CHEMBL4447059