4,5-Diamino-5-oxopentanoic acid

HCID 164697CAS 328-48-3

基本情報

標準SMILES: NC(=O)C(N)CCC(=O)O
InChIKey: AEFLONBTGZFSGQ-UHFFFAOYSA-N
分子式: C5H10N2O3
平均分子量: 146.14 g/mol
単同位体質量: 146.06914218

概要

Isoglutamine is a amino acid amide that is glutamic acid in which the carboxy group is replaced by an aminocarbonyl group. It is an amino acid amide and a glutamic acid derivative.

名称と識別子

優先名称: 4,5-Diamino-5-oxopentanoic acid
IUPAC: 4,5-diamino-5-oxopentanoic acid

名称と別名

4,5-Diamino-5-oxopentanoic acid328-48-3Pentanoic acid, 4,5-diamino-5-oxo-00VZE9Y4WFISOGLUTAMINE, DL-RefChem:1069369DL-Isoglutaminealpha-glutaminePentanoic acid, 4,5-diamino-5-oxo-, (+-)-617-63-04-aminoglutaramic acidH-Glu-NH

名称をさらに表示

H-D-Glu-NHH-Isogln-OH;L-IsoglutamineH-D-Isogln-OH;D-Isoglutamineglutamic acid 1-amideL-Glutamic acid a-amideUNII-00VZE9Y4WF4-amino-4-carbamoylbutyric acid4-amino-4-carbamoylbutanoic acid

データベース識別子

CAS: 328-48-3、617-63-0
PubChem CID: 164697
DTXSID: DTXSID80901304
ChEBI: CHEBI:21305
UNII: 00VZE9Y4WF
Nikkaji: J1.199A

物性

構造計算による物性

XLogP: -4.3
極性表面積: 106 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 10
形式電荷: 0
複雑度: 146