EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125351 - N-[[(2R,4R)-4-[acetyl-[(4-methyl-5-isoquinolinyl)sulfonyl]amino]-2-pyrrolidinyl]methyl]acetamide

ChEBI IDCHEBI:125351
ChEBI NameN-[[(2R,4R)-4-[acetyl-[(4-methyl-5-isoquinolinyl)sulfonyl]amino]-2-pyrrolidinyl]methyl]acetamide
Stars
DownloadsMolfile
FormulaC19H24N4O4S
Net Charge0
Average Mass404.492
Monoisotopic Mass404.15183
SMILESCC(=O)NC[C@H]1C[C@@H](N(C(C)=O)S(=O)(=O)c2cccc3cncc(C)c23)CN1
InChIInChI=1S/C19H24N4O4S/c1-12-8-20-9-15-5-4-6-18(19(12)15)28(26,27)23(14(3)25)17-7-16(22-11-17)10-21-13(2)24/h4-6,8-9,16-17,22H,7,10-11H2,1-3H3,(H,21,24)/t16-,17-/m1/s1
InChIKeyHTNPXDPYAJYFGL-IAGOWNOFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,4R)-4-[acetyl-[(4-methyl-5-isoquinolinyl)sulfonyl]amino]-2-pyrrolidinyl]methyl]acetamide (CHEBI:125351) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-36823LINCS