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

HCID 59001051
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C[C@H](C(N)=O)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIKey
PQFLWORGRMAULL-OAHLLOKOSA-N
Molecular formula
C18H27ClN2O5S
Average molar mass
418.9 g/mol
Monoisotopic mass
418.1329208

Names & identifiers

Preferred name
{N-[(1R)-1-Carbamoyl-3-methyl-butyl]-N-(4-chlorobenzenesulfonyl)amino}acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]acetate

Names & synonyms

SCHEMBL1872868PQFLWORGRMAULL-OAHLLOKOSA-N{N-[(1R)-1-Carbamoyl-3-methyl-butyl]-N-(4-chlorobenzenesulfonyl)amino}acetic acid tert-butyl ester

Database identifiers

PubChem CID
59001051

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
27

Related reactions

5 records
New reaction record

Compound notes

Loading…