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-噻吩-2-ylprop-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-thiophen-2-ylprop-2-enoyl]amino]carbamate

InChI

InChI=1S/C47H76N4O15S/c1-15-33-47(10)39(65-44(56)66-47)29(6)51(13)24-25(2)22-45(8,57)38(63-42-36(53)32(50(11)12)21-26(3)59-42)27(4)37(28(5)41(54)61-33)62-35-23-46(9,58-14)40(30(7)60-35)64-43(55)49-48-34(52)19-18-31-17-16-20-67-31/h16-20,25-30,32-33,35-40,42,53,57H,15,21-24H2,1-14H3,(H,48,52)(H,49,55)/b19-18+/t25-,26-,27+,28-,29-,30-,32+,33+,35-,36-,37+,38-,39-,40-,42+,45-,46+,47-/m0/s1

InChI Key

VTXIYLMHBCUNAT-JKHWSDBRSA-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=CS4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

别名

• CHEMBL4299478