Basic information
- Standard SMILES
COC(=O)CN1CCSCC(N)C1=O.O=C(O)C(F)(F)F- InChIKey
OVQDPDSGHXHVKO-UHFFFAOYSA-N- Molecular formula
- C10H15F3N2O5S
- Average molar mass
- 332.3 g/mol
Names & identifiers
- Preferred name
- 6-Amino-4-N-(carbomethoxymethyl)-perhydro-1,4-thiazepin-5-one, Trifluoroacetate Salt
- IUPAC
- methyl 2-(6-amino-5-oxo-1,4-thiazepan-4-yl)acetate;2,2,2-trifluoroacetic acid
Names & synonyms
OVQDPDSGHXHVKO-UHFFFAOYSA-N6-Amino-4-N-(carbomethoxymethyl)-perhydro-1,4-thiazepin-5-one, Trifluoroacetate Salt6-Amino-4-N-(carbomethoxymethyl)perhydro-1,4-thiazepin-5-one, trifluoroacetate salt
Database identifiers
- PubChem CID
- 13633734
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Related reactions
2 records
Compound notes
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