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CHEBI:45299 - 3-{[(2,2,4,5,5-PENTAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-L-ALANINE

Default Structure
ChEBI IDCHEBI:45299
ChEBI Name3-{[(2,2,4,5,5-PENTAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-L-ALANINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H23N2O3S2
Net Charge+1
Average Mass319.472
Monoisotopic Mass319.11446
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SSC([H])([H])C1=C(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[N+](=O)C1(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C13H22N2O3S2/c1-8-9(6-19-20-7-10(14)11(16)17)13(4,5)15(18)12(8,2)3/h10H,6-7,14H2,1-5H3/p+1/t10-/m0/s1
InChIKeyVSMNUBYBZGUIDV-JTQLQIEISA-O
ChEBI Ontology
Outgoing Relation(s)
3-{[(2,2,4,5,5-PENTAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-L-ALANINE (CHEBI:45299) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-{[(2,2,4,5,5-pentamethyl-1-oxo-2,5-dihydro-1H-pyrrolium-3-yl)methyl]disulfanyl}-L-alaninePDBeChem
3-{[(2,2,4,5,5-PENTAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-L-ALANINEPDBeChem
Manual XrefsDatabases
R1BPDBeChem