CHEBI:100668 - (2R,3R,3aS,9bS)-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 (2R,3R,3aS,9bS)-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:100668 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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-/m1/s1 InChIKey YQHVQTZYSLOMSV-RMVXJAJNSA-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 (2R,3R,3aS,9bS)-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:100668) is a organic heterotricyclic compound (CHEBI:26979) (2R,3R,3aS,9bS)-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:100668) is a tertiary carboxamide (CHEBI:140326) Manual Xref Database LSM-12042 LINCS View more database links Last Modified 09 March 2018