Chem
J-GLOBAL ID：200907041405285701   Nikkaji number：J1.179.855A

N-[6-[[[3-[(R)-1-[[[(2S)-1-(3,3-Dimethyl-1,2-dioxopentyl)piperidine-2α-yl]carbonyl]oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetyl]amino]hexanoyl]-L-cysteine

N-[6-[[[3-[(R)-1-[[[(2S)-1-(3,3-ジメチル-1,2-ジオキソペンチル)ピペリジン-2α-イル]カルボニル]オキシ]-3-(3,4-ジメトキシフェニル)プロピル]フェノキシ]アセチル]アミノ]ヘキサノイル]-L-システイン
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： C41H57N3O11S
Molecular formula furigana： C41-H57-N3-O11-S
Molecular weight： 799.980
InChI： InChI=1S/C41H57N3O11S/c1-6-41(2,3)37(47)38(48)44-22-11-9-15-31(44)40(51)55-32(19-17-27-18-20-33(52-4)34(23-27)53-5)28-13-12-14-29(24-28)54-25-36(46)42-21-10-7-8-16-35(45)43-30(26-56)39(49)50/h12-14,18,20,23-24,30-32,56H,6-11,15-17,19,21-22,25-26H2,1-5H3,(H,42,46)(H,43,45)(H,49,50)/t30-,31-,32+/m0/s1
InChI key： WWFAKQIFTBGILS-OWHBQTKESA-N
SMILES： CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCCCCC(=O)N[C@@H](CS)C(=O)O)c1
Systematic name  (3)：
  • N-[6-[[[3-[(R)-1-[[[(2S)-1-(3,3-ジメチル-1,2-ジオキソペンチル)ピペリジン-2α-イル]カルボニル]オキシ]-3-(3,4-ジメトキシフェニル)プロピル]フェノキシ]アセチル]アミノ]ヘキサノイル]-L-システイン
  • (2R)-2-[6-(2-{3-[(1R)-3-(3,4-ジメトキシフェニル)-1-[(2S)-1-(3,3-ジメチル-2-オキソペンタノイル)ピペリジン-2-カルボニルオキシ]プロピル]フェノキシ}アセトアミド)ヘキサンアミド]-3-スルファニルプロパン酸
  • (2R)-2-[6-(2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy]propyl]phenoxy}acetamido)hexanamido]-3-sulfanylpropanoic acid
Other name (1)：
  • N-[6-[[[3-[(R)-1-[[[(2S)-1-(3,3-Dimethyl-1,2-dioxopentyl)piperidine-2α-yl]carbonyl]oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetyl]amino]hexanoyl]-L-cysteine
Thsaurus map：
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