1,4,8,11-Tetrazacyclotetradecane-2,5,9,12-tetrone
Basic information
- CAS
92456-55-8- Standard SMILES
O=C1CCNC(=O)CNC(=O)CCNC(=O)CN1- InChIKey
SOTAFKYEJRMIOS-UHFFFAOYSA-N- Molecular formula
- C10H16N4O4
- Average molar mass
- 256.26 g/mol
Names & identifiers
- Preferred name
- 1,4,8,11-Tetrazacyclotetradecane-2,5,9,12-tetrone
- IUPAC
- 1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone
- English name
- Cyclo(-beta-Ala-Gly-beta-Ala-Gly)
- Molecular formula
- C10H16N4O4
- Molecular weight
- 256.26
Names & synonyms
92456-55-8SCHEMBL5758143,7,10,14-tetraoxo-1,4,8,11-tetraazacyclotetradecaneCYCLO(B-ALA-GLY-BETA-ALA-GLY)Cyclo(-beta-Ala-Gly-beta-Ala-Gly)
Database identifiers
- CAS
92456-55-8
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- storage temp.
- -15 °C · -15°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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