Chem
J-GLOBAL ID：200907004277084622   Nikkaji number：J1.179.853E

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-alanine

(2S)-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]プロパン酸
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： C41H57N3O11
Molecular formula furigana： C41-H57-N3-O11
Molecular weight： 767.917
InChI： InChI=1S/C41H57N3O11/c1-7-41(3,4)37(47)38(48)44-23-12-10-16-31(44)40(51)55-32(20-18-28-19-21-33(52-5)34(24-28)53-6)29-14-13-15-30(25-29)54-26-36(46)42-22-11-8-9-17-35(45)43-27(2)39(49)50/h13-15,19,21,24-25,27,31-32H,7-12,16-18,20,22-23,26H2,1-6H3,(H,42,46)(H,43,45)(H,49,50)/t27-,31-,32+/m0/s1
InChI key： AGDJTCSLTWUCKA-SUXPEFEVSA-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](C)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-アラニン
  • (2S)-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]プロパン酸
  • (2S)-2-[6-(2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy]propyl]phenoxy}acetamido)hexanamido]propanoic 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-alanine
Thsaurus map：
Thesaurus Map

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