Basic information
- Standard SMILES
CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(C)C(=O)OC(C)(C)C- InChIKey
BJVXXAHNXDCDTK-UHFFFAOYSA-N- Molecular formula
- C20H36N2O4S
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.23957881
Names & identifiers
- Preferred name
- Tert-butyl 2-[[2-acetylsulfanylethyl(2-cyclohexylethyl)carbamoyl]amino]propanoate
- IUPAC
- tert-butyl 2-[[2-acetylsulfanylethyl(2-cyclohexylethyl)carbamoyl]amino]propanoate
Database identifiers
- PubChem CID
- 18337286
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
2 records
Compound notes
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