Basic information
- Standard SMILES
COC(=O)CN1CCSCC(NC(=O)OC(C)(C)C)C1=O- InChIKey
NGNFUQWQAXJIIS-UHFFFAOYSA-N- Molecular formula
- C13H22N2O5S
- Average molar mass
- 318.39 g/mol
Names & identifiers
- Preferred name
- 6-t-Butoxycarbonylamino-4-N-(carbomethoxymethyl)-perhydro-1,4-thiazepin-5-one
- IUPAC
- methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1,4-thiazepan-4-yl]acetate
Names & synonyms
SCHEMBL10833244NGNFUQWQAXJIIS-UHFFFAOYSA-N6-t-Butoxycarbonylamino-4-N-(carbomethoxymethyl)-perhydro-1,4-thiazepin-5-one
Database identifiers
- PubChem CID
- 13633732
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
3 records
Compound notes
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