P2,P3 Ketoamide derivative

HCID 10129151
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Basic information

Standard SMILES
CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1
InChIKey
AAYZJXOZLLKNGZ-DEOSSOPVSA-N
Molecular formula
C28H38FN5O6S
Average molar mass
591.7 g/mol
Monoisotopic mass
591.25268328

Names & identifiers

Preferred name
P2,P3 Ketoamide derivative
IUPAC
[1-[(4-fluorophenyl)methyl]cyclobutyl]methyl N-[(3S)-7-(dimethylsulfamoylamino)-1,2-dioxo-1-(pyridin-3-ylmethylamino)heptan-3-yl]carbamate

Names & synonyms

P2,P3 Ketoamide derivativeCHEMBL186650SCHEMBL14260244AAYZJXOZLLKNGZ-DEOSSOPVSA-NBDBM50152530[1-(4-Fluorobenzyl)cyclobutyl]methyl(1S)-5-{[(dimethylamino)sulfonyl]amino}-1-{oxo[(3-pyridinylmethyl)amino]acetyl}pentylcarbamate

Database identifiers

PubChem CID
10129151
ChEMBL
CHEMBL186650

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
155 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
17
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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