EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41130 - 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE

Default Structure
ChEBI IDCHEBI:41130
ChEBI Name5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H20N4O4S
Net Charge0
Average Mass364.427
Monoisotopic Mass364.12053
SMILES[H]c1c([H])c([N+](=O)[O-])c([H])c([H])c1N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])SC([H])([H])[C@]2([H])N([H])C(=O)N([H])[C@]12[H]
InChIInChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
InChIKeyPORZMUYPQKOFQY-YDHLFZDLSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE (CHEBI:41130) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDEPDBeChem
N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamidePDBeChem
Manual XrefsDatabases
BNIPDBeChem