EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98256 - (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:98256
ChEBI Name(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H28N6O3S
Net Charge0
Average Mass492.605
Monoisotopic Mass492.19436
SMILESO=C(Nc1nccs1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1CC1CCCC1
InChIInChI=1S/C25H28N6O3S/c32-13-19-18-12-30-20(6-5-17(24(30)34)16-9-26-14-27-10-16)21(18)31(11-15-3-1-2-4-15)22(19)23(33)29-25-28-7-8-35-25/h5-10,14-15,18-19,21-22,32H,1-4,11-13H2,(H,28,29,33)/t18-,19-,21+,22-/m1/s1
InChIKeyHGHULLBDNZJMJU-KRXUUXHPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:98256) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-9635LINCS