S-Propylglutathione

HCID 98438

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Basic information

CAS: 24425-53-4
Standard SMILES: CCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIKey: IJQSYVSEZCHJFD-IUCAKERBSA-N
Molecular formula: C13H23N3O6S
Average molar mass: 349.41 g/mol
Monoisotopic mass: 349.13075664

Names & identifiers

Preferred name: S-Propylglutathione
IUPAC: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-propylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Names & synonyms

S-(Propyl)glutathioneS-Propylglutathione24425-53-4S-(2-Propyl)glutathioneC6HJR5DP9PNSC-131110RefChem:180590(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-propylsulfanylpropan-2-yl]amino]-5-oxopentanoic acidNSC 131110UNII-C6HJR5DP9PS-(n-propyl)-glutathioneSCHEMBL2092445

Show more names

S-(N-PROPYL)GLUTATHIONENS00115988L-.GAMMA.-GLUTAMYL-S-PROPYL-L-CYSTEINYLGLYCINEGlycine, N-(N-L-gamma-glutamyl-S-propyl-L-cysteinyl)-GLYCINE, L-.GAMMA.-GLUTAMYL-S-PROPYL-L-CYSTEINYL-GLUTAMINE, N-(1-((CARBOXYMETHYL)CARBAMOYL)-2-(PROPYLTHIO)ETHYL)-, L-

Database identifiers

CAS: 24425-53-4
PubChem CID: 98438
UNII: C6HJR5DP9P
Nikkaji: J535.278I

Properties

Computed structural properties

XLogP: -3.2
Topological polar surface area: 184 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 23
Formal charge: 0
Complexity: 432

Chemistry & industry

Pharmacology

Metabolism/MetabolitesPropyl-glutathione is a known human metabolite of 1-iodopropane.

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