Basic information
- CAS
26885-63-2- Standard SMILES
CC(C)(SSc1ccccc1C(=O)O)C(N)C(=O)O- InChIKey
LNMUCNBPPZDYED-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.04425031
Names & identifiers
- Preferred name
- Benzoic acid, o-((2-amino-2-carboxy-1,1-dimethylethyl)dithio)-, D-
- IUPAC
- 2-[(1-amino-1-carboxy-2-methylpropan-2-yl)disulfanyl]benzoic acid
Names & synonyms
D-o-((2-Amino-2-carboxy-1,1-dimethylethyl)dithio)benzoic acid26885-63-2Benzoic acid, o-((2-amino-2-carboxy-1,1-dimethylethyl)dithio)-, D-RefChem:3277512-[(1-amino-1-carboxy-2-methylpropan-2-yl)disulfanyl]benzoic acidDTXSID00949682
Database identifiers
- CAS
26885-63-2- PubChem CID
- 213697
- DTXSID
DTXSID00949682
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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