2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

• ChemBase编号: 102470
• 分子式: C10H17N3O6S
• 平均质量: 307.32348
• 单一同位素质量: 307.08380628
• SMILES: NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O
• Canonical SMILES: SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• InChI: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
• InChIKey: RWSXRVCMGQZWBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid
• IUPAC传统名: L-glutathione; reduced glutathione
• 别名: β-L-Glutamyl-L-cysteinyl-glycine; GSH; GLUTATHIONE REDUCED; 2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid; β-L-Glutamyl-L-cysteinylglycine

登记号

• CAS号: 70-18-8
• EC号: 200-725-4
• MDL号: MFCD00002631
• PubChem SID: 162088138
• PubChem CID: 745

理论计算性质

• Acid pKa: 1.9366095
• 质子受体: 7
• 质子供体: 6
• LogD (pH = 5.5): -6.550201
• LogD (pH = 7.4): -8.083546
• Log P: -4.884694
• 摩尔折射率: 69.1149 cm^3
• 极化性: 27.466314 Å^3
• 极化表面积: 158.82 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 192 - 195°C; 192-195°C
• 疏水性(logP): -3.051

安全信息

• 保存条件: 2-8°C, Store Under Nitrogen
• RTECS编号: MC0556000

产品相关信息

• 纯度: 95%; 98-100%

详细说明

MP Biomedicals - 02194679

Cell Culture Reagent
Crystalline
Purity: 98-100%
Useful tripeptide involved in many aspects of metabolism, including transport of γ-glutamyl amino acids and reductive cleavage of disulfide bonds.

MP Biomedicals - 02101814

Crystalline
Purity: 98-100%
Useful tripeptide involved in many aspects of metabolism, including transport of ?-glutamyl amino acids and reductive cleavage of disulfide bonds