3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid structure

3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid

3-benzylsulfanyl-2-(octadecanoylamino)propanoic acid

Also Known As: S-Benzyl-N-Stearoyl-L-cysteine|3-benzylsulfanyl-2-(octadecanoylamino)propanoic Acid

CAS: 40379-70-2
Molecular Formula C28H47NO3S
Molecular Weight 477.32767 g/mol
LogP 7.7507
Topological Polar Surface Area 66.4 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 22
Exact Mass 477.32767
Monoisotopic Mass 477.32767
Heavy Atoms 33
Complexity 608.41986

Chemical Identifiers

CAS Number 40379-70-2
SMILES CCCCCCCCCCCCCCCCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

Product Overview

3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid (CAS 40379-70-2), with molecular formula C28H47NO3S and molecular weight 477.32767 g/mol. IUPAC: 3-benzylsulfanyl-2-(octadecanoylamino)propanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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