Basic information
- CAS
1396963-98-6- Standard SMILES
COc1ccc(CSCC(N)C(=O)O)cc1Br- InChIKey
KGEKDCDAFPQHOC-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO3S
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 318.98778
Names & identifiers
- Preferred name
- Cysteine, S-[(3-bromo-4-methoxyphenyl)methyl]-
- IUPAC
- 2-amino-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]propanoic acid
Names & synonyms
1396963-98-6Cysteine, S-[(3-bromo-4-methoxyphenyl)methyl]-CBKinase1_002326CBKinase1_014726DTXSID9012476642-amino-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]propanoic acidS-(3-bromo-4-methoxybenzyl)cysteineAKOS009035278S-[(3-Bromo-4-methoxyphenyl)methyl]cysteineSR-01000233798SR-01000233798-1BRD-A36844011-001-01-1
Database identifiers
- CAS
1396963-98-6- PubChem CID
- 2897201
- DTXSID
DTXSID901247664
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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