N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
Basic information
- CAS
52811-71-9- Standard SMILES
CSCCC(NC(=O)c1ccccc1)C(N)=O- InChIKey
NBLKELFQDXBKFY-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
- IUPAC
- N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
- English name
- BZ-MET-NH2
- Molecular formula
- C12H16N2O2S
- Molecular weight
- 252.33
Names & synonyms
52811-71-9N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamideN-(1-Amino-4-(methylthio)-1-oxobutan-2-yl)benzamideNSC164032SCHEMBL4388416CHEMBL5307103DTXSID10304041N-[1-amino-4-(methylsulfanyl)-1-oxobutan-2-yl]benzamideAKOS024324498NALPHA-BENZOYL-DL-METHIONINAMIDENSC-164032N-(1-carbamoyl-3-methylsulfanyl-propyl)benzamide
Show more names
BZ-MET-NH2BZO-MET-NH2Bz-L-Met-NH2BZ-METHIONINE-NH2N-BENZOYL-L-MET NH2BZ-MET-NH2 USP/EP/BPBENZOYL-L-METHIONINE AMIDENα-benzoyl-DL-methioninamideN-Benzoyl-L-methionine amide
Database identifiers
- CAS
52811-71-9- PubChem CID
- 294889
- DTXSID
DTXSID10304041- ChEMBL
CHEMBL5307103
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 550.1 · 550.1±45.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT.
- pka
- 13.11 · 13.11±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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