Chem
J-GLOBAL ID：200907057410996873   Nikkaji number：J566.866B

CGP-53820

CGP-53820
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： C31H51N5O5
Molecular formula furigana： C31-H51-N5-O5
Molecular weight： 573.779
InChI： InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
InChI key： JNBVLGDICHLLTN-DZUOILHNSA-N
SMILES： CC(C)[C@H](NC(=O)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)C)C(C)C
Systematic name  (4)：
  • N-アセチル-L-バリンN′-(シクロヘキシルメチル)-N′-[(2S,3S)-2-ヒドロキシ-4-フェニル-3-[(N-アセチル-L-バリル)アミノ]ブチル]ヒドラジド
  • N-[(1S,2S)-1-ベンジル-2-ヒドロキシ-3-[1-(シクロヘキシルメチル)-2-(N-アセチル-L-バリル)ヒドラジノ]プロピル]-Nα-アセチル-L-バリンアミド
  • (2S)-N-[(2S,3S)-4-[(2S)-N'-(シクロヘキシルメチル)-2-アセトアミド-3-メチルブタンヒドラジド]-3-ヒドロキシ-1-フェニルブタン-2-イル]-2-アセトアミド-3-メチルブタンアミド
  • (2S)-N-[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-acetamido-3-methylbutanehydrazido]-3-hydroxy-1-phenylbutan-2-yl]-2-acetamido-3-methylbutanamide
Other name (3)：
  • CGP-53820
  • N-Acetyl-L-valine N′-(cyclohexylmethyl)-N′-[(2S,3S)-2-hydroxy-4-phenyl-3-[(N-acetyl-L-valyl)amino]butyl] hydrazide
  • N-[(1S,2S)-1-Benzyl-2-hydroxy-3-[1-(cyclohexylmethyl)-2-(N-acetyl-L-valyl)hydrazino]propyl]-Nα-acetyl-L-valinamide
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