EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101649 - (2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:101649
ChEBI Name(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC26H27N5O3
Net Charge0
Average Mass457.534
Monoisotopic Mass457.21139
SMILESCN1[C@H](C(=O)NC2Cc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]21
InChIInChI=1S/C26H27N5O3/c1-30-23-20(12-31-22(23)7-6-19(26(31)34)17-10-27-14-28-11-17)21(13-32)24(30)25(33)29-18-8-15-4-2-3-5-16(15)9-18/h2-7,10-11,14,18,20-21,23-24,32H,8-9,12-13H2,1H3,(H,29,33)/t20-,21-,23+,24-/m0/s1
InChIKeyDWBOFDUJFWPQPT-ZQRMPTRQSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101649) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-13012LINCS