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

• ChemBase ID: 4043
• Molecular Formular: C6H11NO3S
• Molecular Mass: 177.22144
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-formamido-4-(methylsulfanyl)butanoic acid
• IUPAC Traditional name: N-formylmethionine
• Synonyms: N-Formylmethionine; fMet; N-Formyl-L-methionine; N-FORMYL-L-METHIONINE

Database IDs

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 3.9277208
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7361294
• LogD (pH = 7.4): -3.3561876
• Log P: -0.15713504
• Molar Refractivity: 42.5393 cm^3
• Polarizability: 16.6649 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.61
• LOG S: -1.26
• Solubility (Water): 9.75e+00 g/l

PROPERTIES

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

DETAILS

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