Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-
Basic information
- CAS
26885-64-3- Standard SMILES
CC(=O)N[C@H](C(=O)O)C(C)(C)SSc1ccccc1C(=O)O- InChIKey
HGUGGLQXBRPLNG-LLVKDONJSA-N- Molecular formula
- C14H17NO5S2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.05481499
Names & identifiers
- Preferred name
- Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-
- IUPAC
- 2-[[(1R)-1-acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl]benzoic acid
Names & synonyms
BRN 399338426885-64-3Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-DTXSID90181392DL-o-((2-Acetamido-2-carboxy-1,1-dimethylethyl)dithio)benzoic acidRefChem:327750DTXCID001038832-{[(1R)-1-Acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl}benzoic acid
Database identifiers
- CAS
26885-64-3- PubChem CID
- 213698
- DTXSID
DTXSID90181392
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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