EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102750 - (2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-2-[oxo(1-piperidinyl)methyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide

ChEBI IDCHEBI:102750
ChEBI Name(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-2-[oxo(1-piperidinyl)methyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide
Stars
DownloadsMolfile
FormulaC27H33FN4O4
Net Charge0
Average Mass496.583
Monoisotopic Mass496.24858
SMILESCCCNC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C27H33FN4O4/c1-2-12-29-27(36)32-23-20(21(16-33)24(32)26(35)30-13-4-3-5-14-30)15-31-22(23)11-10-19(25(31)34)17-6-8-18(28)9-7-17/h6-11,20-21,23-24,33H,2-5,12-16H2,1H3,(H,29,36)/t20-,21-,23+,24-/m1/s1
InChIKeyVKYOLVDQZLNZRC-CJTFWIGWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-2-[oxo(1-piperidinyl)methyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide (CHEBI:102750) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-14096LINCS