Chem
J-GLOBAL ID：200907070231306500   Nikkaji number：J630.600D

Cathestatin A

カテスタチンA
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： C17H23N3O5
Molecular formula furigana： C17-H23-N3-O5
Molecular weight： 349.387
InChI： InChI=1S/C17H23N3O5/c18-8-4-5-9-19-15(21)12(10-11-6-2-1-3-7-11)20-16(22)13-14(25-13)17(23)24/h1-3,6-7,12-14H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)
InChI key： ZERGYHMBBZCBJM-UHFFFAOYSA-N
SMILES： NCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1OC1C(=O)O
Systematic name  (3)：
  • 3-[[[2-[(4-アミノブチル)アミノ]-2-オキソ-1-ベンジルエチル]アミノ]カルボニル]オキシラン-2-カルボン酸
  • 3-({1-[(4-アミノブチル)カルバモイル]-2-フェニルエチル}カルバモイル)オキシラン-2-カルボン酸
  • 3-({1-[(4-aminobutyl)carbamoyl]-2-phenylethyl}carbamoyl)oxirane-2-carboxylic acid
Other name (3)：
  • カテスタチンA
  • Cathestatin A
  • 3-[[[2-[(4-Aminobutyl)amino]-2-oxo-1-benzylethyl]amino]carbonyl]oxirane-2-carboxylic acid
CAS registry number： 162112-41-6
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