Sivelestat
2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
Molecular Identity
Sivelestat
2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
PubChem CID: 107706
Sivelestat is a N-acylglycine and a pivalate ester. It is functionally related to a N-benzoylglycine.
2D Structure
Properties
C20H22N2O7S
Molecular Formula
434.50
Molecular Weight
g/mol
434.1148
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
147
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
731
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)OIsomeric SMILES
SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)OSynonyms(20)
Sivelestat127373-66-4Ono-50462-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acidLY544349N-(2-(4-(2,2-Dimethylpropionyloxy)phenylsulfonylamino)benzoyl)aminoacetic acidDWI62G0P59DTXSID9048304LY-544349Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-2-[(2-{4-[(2,2-dimethylpropanoyl)oxy]benzenesulfonamido}phenyl)formamido]acetic acidsivelestatum2-((2-((4-(2,2-dimethylpropanoyloxy)phenyl)sulfonylamino)benzoyl)amino)acetic acid2-((2-(4-((2,2-dimethylpropanoyl)oxy)benzenesulfonamido)phenyl)formamido)acetic acidRefChem:931817
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sivelestat
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