EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45115 - 4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine

ChEBI IDCHEBI:45115
ChEBI Name4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine
Stars
ASCII Name4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine
Last Modified20 June 2013
DownloadsMolfile
FormulaC19H19N5O4S2
Net Charge0
Average Mass445.526
Monoisotopic Mass445.08785
SMILES[H]/N=C(\c1c([H])c([H])c(O[H])c(C([H])([H])N2C(=O)[C@@]([H])(N([H])S(=O)(=O)c3sc4c([H])c([H])c([H])nc4c3[H])C([H])([H])C2([H])[H])c1[H])N([H])[H]
InChIInChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
InChIKeyPQJGWYQPOHCEDO-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine (CHEBI:45115) is a carboxamidine (CHEBI:35359)
4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine (CHEBI:45115) is a pyrrolidin-2-ones (CHEBI:74223)
4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine (CHEBI:45115) is a sulfonamide (CHEBI:35358)
4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)pyrrolidin-1-ylmethyl]benzamidine (CHEBI:45115) is a thienopyridine (CHEBI:37942)
Synonyms  Source
4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamidePDBeChem
4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINEPDBeChem
Manual XrefsDatabases
PR1PDBeChem