4-{[N-((1R)-1-Carbamoyl-3-methyl-butyl)-N-(4-chlorobenzenesulfonyl)amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

HCID 59001095

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

Related reactions

6 records

Compound notes

Loading…