Basic information
- CAS
74407-28-6- Standard SMILES
CSC[C@H](NC(=O)C(C)(C)SC)C(=O)O- InChIKey
PJAGTRYFTSKLOI-LURJTMIESA-N- Molecular formula
- C9H17NO3S2
- Average molar mass
- 251.4 g/mol
- Monoisotopic mass
- 251.06498575
Names & identifiers
- Preferred name
- S-Methyl-N-(2-methyl-2(methylthio)propionyl)-L-cysteine
- IUPAC
- (2R)-2-[(2-methyl-2-methylsulfanylpropanoyl)amino]-3-methylsulfanylpropanoic acid
Names & synonyms
CCRIS 526174407-28-6S-Methyl-N-(2-methyl-2(methylthio)propionyl)-L-cysteineDTXSID90225402S-METHYL-N-[2-METHYL-2(METHYLTHIO)PROPIONYL]-L-CYSTEINERefChem:379564DTXCID50147893JV3T47Y6K9SCHEMBL11339071S-Methyl-N-[2-methyl-2-(methylthio)-1-oxopropyl]-L-cysteineS-methyl-N-[2-methyl-2-(methylthio) propionyl]-l-cysteineS-Methyl-N-[2-methyl-2-(methylsulfanyl)propanoyl]-L-cysteine
Show more names
L-Cysteine, S-methyl-N-[2-methyl-2-(methylthio)-1-oxopropyl]-(R)-2-(2-Methyl-2-(methylthio)propanamido)-3-(methylthio)propanoic acid
Database identifiers
- CAS
74407-28-6- PubChem CID
- 150683
- DTXSID
DTXSID90225402- UNII
- JV3T47Y6K9
- Nikkaji
- J536.027G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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