化学式

CAS号

IUPAC Name

[(2S,3S,4R,6R)-6-[[(1S,2R,5S,6R,7R,8S,9S,11S,14S,15S)-8-[(2R,3S,4R,6S)-4-(二甲基氨基)-3-羟基-6-methyloxan-2-基]氧基-2-乙基-9-羟基-1,5,7,9,11,13,14-庚甲基-4,17-二氧代-3,16,18-三氧杂-13-氮杂双环[13.3.0]octadecan-6-基]氧基]-4-甲氧基-2,4-dimethyloxan-3-基]N-[[(E)-3-(4-氰基苯基)丙-2-enoyl]氨基]氨基甲酯 [(2S,3S,4R,6R)-6-[[(1S,2R,5S,6R,7R,8S,9S,11S,14S,15S)-8-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]carbamate

InChI

InChI=1S/C50H77N5O15/c1-15-36-50(10)42(69-47(60)70-50)31(6)55(13)26-27(2)23-48(8,61)41(67-45-39(57)35(54(11)12)22-28(3)63-45)29(4)40(30(5)44(58)65-36)66-38-24-49(9,62-14)43(32(7)64-38)68-46(59)53-52-37(56)21-20-33-16-18-34(25-51)19-17-33/h16-21,27-32,35-36,38-43,45,57,61H,15,22-24,26H2,1-14H3,(H,52,56)(H,53,59)/b21-20+/t27-,28-,29+,30-,31-,32-,35+,36+,38-,39-,40+,41-,42-,43-,45+,48-,49+,50-/m0/s1

InChI Key

WULJOXUSMFRPHM-YDKHJXDWSA-N

Canonical SMILES

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NNC(=O)C=CC4=CC=C(C=C4)C#N)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

别名

• CHEMBL4299458