Basic information
- CAS
68041-51-0- Standard SMILES
NC(=O)CCCCC(CCS)SC(=O)CCC(=O)O- InChIKey
RJCJWONCSKSHES-UHFFFAOYSA-N- Molecular formula
- C12H21NO4S2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.0912005
Names & identifiers
- Preferred name
- Butanoic acid, 4-[[6-amino-1-(2-mercaptoethyl)-6-oxohexyl]thio]-4-oxo-
- IUPAC
- 4-(8-amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl-4-oxobutanoic acid
Names & synonyms
68041-51-0Butanoic acid, 4-[[6-amino-1-(2-mercaptoethyl)-6-oxohexyl]thio]-4-oxo-DTXSID302742774-[(8-Amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl]-4-oxobutanoic acid
Database identifiers
- CAS
68041-51-0- PubChem CID
- 571
- DTXSID
DTXSID30274277
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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