Chem
J-GLOBAL ID：201507013972626590   Nikkaji number：J3.451.453D

Ledipasvir

レジパスビル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C49H54F2N8O6
Molecular formula furigana： C49-H54-F2-N8-O6
Molecular weight： 889.018
InChI： InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1
InChI key： VRTWBAAJJOHBQU-KMWAZVGDSA-N
SMILES： COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c1ncc([nH]1)c1ccc2c3ccc(cc3C(F)(F)c2c1)c1ccc2nc([nH]c2c1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C
Systematic name  (4)：
  • メチル=[(2S)-1-[(6S)-6-[5-[9,9-ジフルオロ-7-[2-[(1R,3S,4S)-2-[N-(メトキシカルボニル)-L-バリル]-2-アザビシクロ[2.2.1]ヘプタン-3-イル]-1H-ベンゾイミダゾール-6-イル]-9H-フルオレン-2-イル]-1H-イミダゾール-2-イル]-5-アザスピロ[2.4]ヘプタン-5-イル]-3-メチル-1-オキソブタン-2-イル]カルバマート
  • [(2S)-1-[(6S)-6-[5-[9,9-ジフルオロ-7-[2-[(1R,3S,4S)-2-[N-(メトキシカルボニル)-L-バリル]-2-アザビシクロ[2.2.1]ヘプタン-3-イル]-1H-ベンゾイミダゾール-6-イル]-9H-フルオレン-2-イル]-1H-イミダゾール-2-イル]-5-アザスピロ[2.4]ヘプタン-5-イル]-3-メチル-1-オキソブタン-2-イル]カルバミド酸メチル
  • メチル N-[(2S)-1-[(6S)-6-[5-(9,9-ジフルオロ-7-{2-[(1R,3S,4S)-2-[(2S)-2-[(メトキシカルボニル)アミノ]-3-メチルブタノイル]-2-アザビシクロ[2.2.1]ヘプタン-3-イル]-1H-1,3-ベンゾジアゾール-6-イル}-9H-フルオレン-2-イル)-1H-イミダゾール-2-イル]-5-アザスピロ[2.4]ヘプタン-5-イル]-3-メチル-1-オキソブタン-2-イル]カルバマート
  • methyl N-[(2S)-1-[(6S)-6-[5-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-1,3-benzodiazol-6-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Other name (5)：
  • Methyl=[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[N-(methoxycarbonyl)-L-valyl]-2-azabicyclo[2.2.1]heptane-3-yl]-1H-benzoimidazole-6-yl]-9H-fluorene-2-yl]-1H-imidazole-2-yl]-5-azaspiro[2.4]heptane-5-yl]-3-methyl-1-oxobutane-2-yl]carbamate
  • [(2S)-1-[(6S)-6-[5-[9,9-Difluoro-7-[2-[(1R,3S,4S)-2-[N-(methoxycarbonyl)-L-valyl]-2-azabicyclo[2.2.1]heptane-3-yl]-1H-benzoimidazole-6-yl]-9H-fluorene-2-yl]-1H-imidazole-2-yl]-5-azaspiro[2.4]heptane-5-yl]-3-methyl-1-oxobutane-2-yl]carbamic acid methyl ester
  • レジパスビル
  • Ledipasvir
  • レディパスビル
CAS registry number： 1256388-51-8
Regulation number (1)：
  • 8-(2)-2600
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM