Chem
J-GLOBAL ID：200907080911476952   Nikkaji number：J11.406E

Balenine

バレニン
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： C10H16N4O3
Molecular formula furigana： C10-H16-N4-O3
Molecular weight： 240.263
InChI： InChI=1S/C10H16N4O3/c1-14-5-7(12-6-14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChI key： SLRNWACWRVGMKD-QMMMGPOBSA-N
SMILES： Cn1cnc(C[C@H](NC(=O)CCN)C(=O)O)c1
Systematic name  (4)：
  • Nα-β-アラニル-1-メチル-L-ヒスチジン
  • βAla-1-メチル-L-His-OH
  • (2S)-2-(3-アミノプロパンアミド)-3-(1-メチル-1H-イミダゾール-4-イル)プロパン酸
  • (2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
Other name (6)：
  • バレニン
  • Balenine
  • Nα-β-Alanyl-1-methyl-L-histidine
  • イソアンセリン
  • Isoanserine
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CAS registry number： 331-38-4
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