Chem
J-GLOBAL ID：200907074459826290   Nikkaji number：J575.148I

L-368899

L-368899
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： C26H42N4O5S2
Molecular formula furigana： C26-H42-N4-O5-S2
Molecular weight： 554.770
InChI： InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1
InChI key： MWIASLNTAGRGGA-ZJPWWDJASA-N
SMILES： Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(=O)(=O)C)C2(C)C
Systematic name  (4)：
  • (2S)-N-[(1S,4R)-7,7-ジメチル-1-[[[4-(2-メチルフェニル)ピペラジン-1-イル]スルホニル]メチル]ビシクロ[2.2.1]ヘプタン-2β-イル]-2-アミノ-4-(メチルスルホニル)ブタンアミド
  • (2S)-N-[(1S,4R,6S)-1-[4-(2-メチルフェニル)ピペラジン-1-イルスルホニルメチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-6-イル]-2-アミノ-4-(メチルスルホニル)ブチルアミド
  • (2S)-2-アミノ-N-[(1S,2S,4R)-7,7-ジメチル-1-({[4-(2-メチルフェニル)ピペラジン-1-イル]スルホニル}メチル)ビシクロ[2.2.1]ヘプタン-2-イル]-4-メタンスルホニルブタンアミド
  • (2S)-2-amino-N-[(1S,2S,4R)-7,7-dimethyl-1-({[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-yl]-4-methanesulfonylbutanamide
Other name (3)：
  • L-368899
  • (2S)-N-[(1S,4R)-7,7-Dimethyl-1-[[[4-(2-methylphenyl)piperazin-1-yl]sulfonyl]methyl]bicyclo[2.2.1]heptan-2β-yl]-2-amino-4-(methylsulfonyl)butanamide
  • (2S)-N-[(1S,4R,6S)-1-[4-(2-Methylphenyl)piperazine-1-ylsulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptane-6-yl]-2-amino-4-(methylsulfonyl)butyramide
CAS registry number： 148927-60-0
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