EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101564 - (2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:101564
ChEBI Name(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC26H25N5O4
Net Charge0
Average Mass471.517
Monoisotopic Mass471.19065
SMILESO=C(NC1Cc2ccccc2C1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)c1cnccn1
InChIInChI=1S/C26H25N5O4/c32-14-19-18-13-30-21(6-3-7-22(30)33)23(18)31(26(35)20-12-27-8-9-28-20)24(19)25(34)29-17-10-15-4-1-2-5-16(15)11-17/h1-9,12,17-19,23-24,32H,10-11,13-14H2,(H,29,34)/t18-,19-,23+,24-/m0/s1
InChIKeyUFMLPCAJUBVDJE-TWXAQOBRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101564) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-12927LINCS