CHEBI:100394 - (2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
ChEBI ID CHEBI:100394
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H25FN2O5
Net Charge 0
Average Mass 440.465
Monoisotopic Mass 440.17475
InChI InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m0/s1
InChIKey YQHVQTZYSLOMSV-MMKMLUHNSA-N
SMILES COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]2N1C(=O)C5CCC5)CO
ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394) is a methyl ester (CHEBI:25248)
(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394) is a organic heterotricyclic compound (CHEBI:26979)
(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394) is a tertiary carboxamide (CHEBI:140326)
Manual Xref Database
LSM-11769 LINCS
View more database links
Last Modified
09 March 2018