Chem
J-GLOBAL ID：200907086935064335   Nikkaji number：J668.903E

Calpain inhibitor II

カルパインインヒビターII
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： C19H35N3O4S
Molecular formula furigana： C19-H35-N3-O4-S
Molecular weight： 401.570
InChI： InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1
InChI key： RJWLAIMXRBDUMH-ULQDDVLXSA-N
SMILES： CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)C=O
Systematic name  (12)：
  • (2S)-2-[(N-アセチル-L-Leu-L-Leu-)アミノ]-4-(メチルチオ)ブタナール
  • Ac-L-Leu-L-Leu-[(S)-1-ホルミル-3-(メチルチオ)プロピル]NH2
  • (S)-2-[(Ac-L-Leu-L-Leu-)アミノ]-4-(メチルチオ)ブタナール
  • (S)-2-[[N-(N-アセチル-L-ロイシル)-L-ロイシル]アミノ]-4-(メチルチオ)ブタナール
  • (2S)-2-[(Ac-L-Leu-L-Leu-)アミノ]-4-(メチルチオ)ブタナール
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Other name (13)：
  • (S)-2-[[N-(N-Acetyl-L-leucyl)-L-leucyl]amino]-4-(methylthio)butanal
  • (S)-2-[(Ac-L-Leu-L-Leu-)Amino]-4-(methylthio)butanal
  • (2S)-2-[(Ac-L-Leu-L-Leu-)Amino]-4-(methylthio)butanal
  • (S)-2-[(N-Ac-L-Leu-L-Leu-)Amino]-4-(methylthio)butanal
  • (S)-2-[(N-Acetyl-L-Leu-L-Leu-)amino]-4-(methylthio)butanal
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CAS registry number： 110115-07-6
KEGG COMPOUND： C11292
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