(2S)-2-formamido-4-(methylsulfanyl)butanoic acid

• ChemBase编号: 4043
• 分子式: C6H11NO3S
• 平均质量: 177.22144
• 单一同位素质量: 177.04596422
• SMILES: N(C=O)[C@@H](CCSC)C(=O)O
• Canonical SMILES: CSCC[C@@H](C(=O)O)NC=O
• InChI: InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
• InChIKey: PYUSHNKNPOHWEZ-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-formamido-4-(methylsulfanyl)butanoic acid
• IUPAC传统名: N-formylmethionine
• 别名: N-Formylmethionine; fMet; N-Formyl-L-methionine; N-FORMYL-L-METHIONINE

登记号

• CAS号: 4289-98-9
• MDL号: MFCD00021033
• PubChem SID: 160967478; 24894839; 46505840
• PubChem CID: 439750

理论计算性质

JChem

• Acid pKa: 3.9277208
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.7361294
• LogD (pH = 7.4): -3.3561876
• Log P: -0.15713504
• 摩尔折射率: 42.5393 cm^3
• 极化性: 16.6649 Å^3
• 极化表面积: 66.4 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -0.61
• LOG S: -1.26
• 溶解度: 9.75e+00 g/l

分子性质

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

详细说明

MP Biomedicals - 02151169

Crystalline

DrugBank - DB04464

• Drug Groups: experimental
• Description: Effective in the initiation of protein synthesis. The initiating methionine residue enters the ribosome as N-formylmethionyl tRNA. This process occurs in Escherichia coli and other bacteria as well as in the mitochondria of eucaryotic cells. [PubChem]

Sigma Aldrich - F3377

包装
10 mg in autosmp vl