Chem
J-GLOBAL ID：200907081058944904   Nikkaji number：J1.460.221F

βAsp-βAla-L-His-OH

βAsp-βAla-L-His-OH
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： C13H19N5O6
Molecular formula furigana： C13-H19-N5-O6
Molecular weight： 341.324
InChI： InChI=1S/C13H19N5O6/c14-8(12(21)22)4-11(20)16-2-1-10(19)18-9(13(23)24)3-7-5-15-6-17-7/h5-6,8-9H,1-4,14H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)(H,23,24)/t8-,9-/m0/s1
InChI key： SMOCIKMLQQHDAH-IUCAKERBSA-N
SMILES： N[C@@H](CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(=O)O
Systematic name  (3)：
  • βAsp-βAla-L-His-OH
  • (2S)-2-アミノ-3-[(2-{[(1S)-1-カルボキシ-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}エチル)カルバモイル]プロパン酸
  • (2S)-2-amino-3-[(2-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl)carbamoyl]propanoic acid
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