methyl (2S)-2-[[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanylbutanoate
Basic information
- CAS
169453-05-8- Standard SMILES
COC(=O)[C@H](CCSC)N[C@H](C(=O)NC(C)(C)C)C(C)C- InChIKey
SHERXVRVHBTOAQ-RYUDHWBXSA-N- Molecular formula
- C15H30N2O3S
- Average molar mass
- 318.5 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-2-[[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanylbutanoate
- IUPAC
- methyl (2S)-2-[[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanylbutanoate
- English name
- L-Methionine, N-[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]-, methyl ester, (S)- (9CI)
- Molecular formula
- C15H30N2O3S
- Molecular weight
- 318.48
Names & synonyms
methyl (2S)-2-[[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanylbutanoateL-Methionine, N-[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]-, methyl ester, (S)- (9CI)
Database identifiers
- CAS
169453-05-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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