L-Cysteine, N-acetyl-, butylcarbamate (ester)
Basic information
- CAS
71084-39-4- Standard SMILES
CCCCNC(=O)OC(=O)[C@H](CS)NC(C)=O- InChIKey
GPPFVQSUVOVHJD-QMMMGPOBSA-N- Molecular formula
- C10H18N2O4S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.09872823
Names & identifiers
- Preferred name
- L-Cysteine, N-acetyl-, butylcarbamate (ester)
- IUPAC
- butylcarbamoyl (2R)-2-acetamido-3-sulfanylpropanoate
Names & synonyms
71084-39-4L-Cysteine, N-acetyl-, butylcarbamate (ester)SCHEMBL31087136DTXSID80991407N-{(2R)-1-[(Butylimino)(hydroxy)methoxy]-1-oxo-3-sulfanylpropan-2-yl}ethanimidic acidN-{1-[(Butylimino)(hydroxy)methoxy]-1-oxo-3-sulfanylpropan-2-yl}ethanimidic acid
Database identifiers
- CAS
71084-39-4- PubChem CID
- 189192
- DTXSID
DTXSID80991407
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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