EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45316 - 3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINE

Default Structure
ChEBI IDCHEBI:45316
ChEBI Name3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H25N2O3S2
Net Charge+1
Average Mass381.543
Monoisotopic Mass381.13011
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SSC([H])([H])C1=C(c2c([H])c([H])c([H])c([H])c2[H])C(C([H])([H])[H])(C([H])([H])[H])[N+](=O)C1(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C18H24N2O3S2/c1-17(2)13(10-24-25-11-14(19)16(21)22)15(18(3,4)20(17)23)12-8-6-5-7-9-12/h5-9,14H,10-11,19H2,1-4H3/p+1/t14-/m0/s1
InChIKeyQYUQBTDVKOREGR-AWEZNQCLSA-O
ChEBI Ontology
Outgoing Relation(s)
3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINE (CHEBI:45316) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINEPDBeChem
3-{[(2,2,5,5-tetramethyl-1-oxo-4-phenyl-2,5-dihydro-1H-pyrrolium-3-yl)methyl]disulfanyl}-L-alaninePDBeChem
Manual XrefsDatabases
R1FPDBeChem