2S,4R-4-Methylglutamate

HCID 95883CAS 14561-55-8

基本情報

標準SMILES: C[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIKey: KRKRAOXTGDJWNI-DMTCNVIQSA-N
分子式: C6H11NO4
平均分子量: 161.16 g/mol
単同位体質量: 161.06880783

概要

(4R)-4-methyl-L-glutamic acid is a 4-methyl-L-glutamic acid in which the methyl group at position 4 adopts R-configuration. It has a role as an excitatory amino acid agonist. It is a conjugate acid of a (4R)-4-methyl-L-glutamate(1-).

名称と識別子

優先名称: 2S,4R-4-Methylglutamate
IUPAC: (2S,4R)-2-amino-4-methylpentanedioic acid

名称と別名

(2S,4R)-2-amino-4-methylpentanedioic acid2S,4R-4-MethylglutamateRefChem:484479(2R,4S)-4-amino-4-carboxy-2-methylbutanoate(2S,4R)-4-Methylglutamic acid(4r)-4-methyl-l-glutamic acid77842-39-8PQ76GL74VZ6B8Q87JVZ7CHEMBL2881664-Methyl-L-glutamic acid, (4R)-4-Methyl-DL-glutamic acid, erythro-

名称をさらに表示

L-Glutamic acid, 4-methyl-, (4R)-DL-Glutamic acid, 4-methyl-, erythro-(2S,4R)-2-Amino-4-methyl-pentanedioic acid4-Methylglutamatethreo-gamma-Methylglutamate2-Amino-4-methyl-pentanedioic acidSYMNSC 41355

データベース識別子

CAS: 14561-55-8、31137-74-3、77842-39-8
PubChem CID: 95883
DTXSID: DTXSID901300044
ChEMBL: CHEMBL288166
ChEBI: CHEBI:228160
UNII: 6B8Q87JVZ7、PQ76GL74VZ
Nikkaji: J686.918A

物性

構造計算による物性

XLogP: -2.9
極性表面積: 101 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 168

実験および物理化学的性質

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