Basic information
- Standard SMILES
CCC(OS(=O)(=O)c1ccc(C)cc1)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C- InChIKey
PSSSKBVAHRJNLH-BGERDNNASA-N- Molecular formula
- C23H37NO5S
- Average molar mass
- 439.6 g/mol
Names & identifiers
- Preferred name
- (S)-2-(tert-butoxycarbonylamino)-1-cyclohexylpentan-3-yl 4-methylbenzenesulfonate
- IUPAC
- [(2S)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-3-yl] 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL3614633PSSSKBVAHRJNLH-BGERDNNASA-N(S)-2-(tert-butoxycarbonylamino)-1-cyclohexylpentan-3-yl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 59201516
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
2 records
Compound notes
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