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CHEBI:40318 - N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide

ChEBI IDCHEBI:40318
ChEBI NameN-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide
Stars
ASCII NameN-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide
Last Modified20 June 2013
DownloadsMolfile
FormulaC21H19N5O3S2
Net Charge0
Average Mass453.549
Monoisotopic Mass453.09293
SMILES[H]c1nc2c([H])c(S(=O)(=O)N([H])[C@]3([H])C(=O)N(C([H])([H])c4c([H])c([H])c5c([H])c([H])nc(N([H])[H])c5c4[H])C([H])([H])C3([H])[H])sc2c([H])c1[H]
InChIInChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1
InChIKeyNVKDOURNRJCKJE-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide (CHEBI:40318) is a isoquinolines (CHEBI:24922)
N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide (CHEBI:40318) is a pyrrolidin-2-ones (CHEBI:74223)
N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide (CHEBI:40318) is a thienopyridine (CHEBI:37942)
Synonyms  Source
N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamidePDBeChem
THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDEPDBeChem
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815PDBeChem