Chem
J-GLOBAL ID：200907066976015682   Nikkaji number：J816.880F

(4S)-4-[(N-Methyl-D-Phe-L-Pro-)amino]-1,1,1,2,2-pentafluoro-5-(1H-indol-3-yl)pentan-3-one

(4S)-4-[(N-メチル-D-Phe-L-Pro-)アミノ]-1,1,1,2,2-ペンタフルオロ-5-(1H-インドール-3-イル)ペンタン-3-オン
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： C28H29F5N4O3
Molecular formula furigana： C28-H29-F5-N4-O3
Molecular weight： 564.557
InChI： InChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1
InChI key： WFJABZVISMTOSO-ZRBLBEILSA-N
SMILES： CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(F)(F)C(F)(F)F
Systematic name  (3)：
  • (4S)-4-[(N-メチル-D-Phe-L-Pro-)アミノ]-1,1,1,2,2-ペンタフルオロ-5-(1H-インドール-3-イル)ペンタン-3-オン
  • (2S)-1-[(2R)-2-(メチルアミノ)-3-フェニルプロパノイル]-N-[(2S)-4,4,5,5,5-ペンタフルオロ-1-(1H-インドール-3-イル)-3-オキソペンタン-2-イル]ピロリジン-2-カルボキサミド
  • (2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxopentan-2-yl]pyrrolidine-2-carboxamide
Other name (1)：
  • (4S)-4-[(N-Methyl-D-Phe-L-Pro-)amino]-1,1,1,2,2-pentafluoro-5-(1H-indol-3-yl)pentan-3-one
Thsaurus map：
Thesaurus Map

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