Chem
J-GLOBAL ID：200907075709178431   Nikkaji number：J696.686A

FTI-277

FTI-277
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： C22H29N3O3S2
Molecular formula furigana： C22-H29-N3-O3-S2
Molecular weight： 447.610
InChI： InChI=1S/C22H29N3O3S2/c1-28-22(27)20(10-11-30-2)25-21(26)18-9-8-17(24-13-16(23)14-29)12-19(18)15-6-4-3-5-7-15/h3-9,12,16,20,24,29H,10-11,13-14,23H2,1-2H3,(H,25,26)/t16-,20+/m1/s1
InChI key： GKFPROVOIQKYTO-UZLBHIALSA-N
SMILES： COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H](N)CS)cc1c1ccccc1
Systematic name  (4)：
  • N-[[5-[[(R)-2-アミノ-3-メルカプトプロピル]アミノ]-1,1′-ビフェニル-2-イル]カルボニル]-L-メチオニンメチル
  • (2S)-2-[[5-[(R)-2-アミノ-3-メルカプトプロピル]アミノ-2-ビフェニリル]カルボニルアミノ]-4-(メチルチオ)酪酸メチル
  • メチル (2S)-2-[(5-{[(2R)-2-アミノ-3-スルファニルプロピル]アミノ}-[1,1'-ビフェニル]-2-イル)ホルムアミド]-4-(メチルスルファニル)ブタノアート
  • methyl (2S)-2-[(5-{[(2R)-2-amino-3-sulfanylpropyl]amino}-[1,1'-biphenyl]-2-yl)formamido]-4-(methylsulfanyl)butanoate
Other name (2)：
  • (2S)-2-[[5-[(R)-2-Amino-3-mercaptopropyl]amino-2-biphenylyl]carbonylamino]-4-(methylthio)butyric acid methyl ester
  • FTI-277
CAS registry number： 170006-73-2
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