EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102746 - (2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:102746
ChEBI Name(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC27H33N3O4
Net Charge0
Average Mass463.578
Monoisotopic Mass463.24711
SMILESCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C27H33N3O4/c1-3-29-24-21(15-30-23(24)12-11-20(27(30)33)18-8-4-5-9-18)22(16-31)25(29)26(32)28-14-17-7-6-10-19(13-17)34-2/h6-8,10-13,21-22,24-25,31H,3-5,9,14-16H2,1-2H3,(H,28,32)/t21-,22-,24+,25-/m1/s1
InChIKeyNBNQALGKJVWNKP-YQIMAOPZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102746) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-14092LINCS