EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99491 - (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:99491
ChEBI Name(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC27H30N4O4
Net Charge0
Average Mass474.561
Monoisotopic Mass474.22671
SMILESCOc1ccccc1CN1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCc1ccncc1
InChIInChI=1S/C27H30N4O4/c1-35-23-7-3-2-5-19(23)15-31-25-20(16-30-22(25)6-4-8-24(30)33)21(17-32)26(31)27(34)29-14-11-18-9-12-28-13-10-18/h2-10,12-13,20-21,25-26,32H,11,14-17H2,1H3,(H,29,34)/t20-,21-,25+,26-/m1/s1
InChIKeySNUVNVMLNYTLKH-YTFNCPKPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:99491) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-10870LINCS