Basic information
- Standard SMILES
CC(C)C[C@H](C(N)=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
LNXYKLHTANBJMF-HXUWFJFHSA-N- Molecular formula
- C23H36ClN3O5S
- Average molar mass
- 502.1 g/mol
- Monoisotopic mass
- 501.2064201
Names & identifiers
- Preferred name
- 4-{[N-((1R)-1-Carbamoyl-3-methyl-butyl)-N-(4-chlorobenzenesulfonyl)amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1875638LNXYKLHTANBJMF-HXUWFJFHSA-N4-{[N-((1R)-1-Carbamoyl-3-methyl-butyl)-N-(4-chlorobenzenesulfonyl)amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59001095
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 762
Related reactions
6 records
Compound notes
Loading…