CHEBI:97561 - (2S,3S,3aR,9bR)-7-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,3aR,9bR)-7-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
ChEBI ID CHEBI:97561
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H32FN3O3
Net Charge 0
Average Mass 477.571
Monoisotopic Mass 477.24277
InChI InChI=1S/C28H32FN3O3/c29-23-8-4-3-7-19(23)14-32-25-21(22(16-33)26(32)27(34)30-13-17-9-10-17)15-31-24(25)12-11-20(28(31)35)18-5-1-2-6-18/h3-5,7-8,11-12,17,21-22,25-26,33H,1-2,6,9-10,13-16H2,(H,30,34)/t21-,22-,25+,26-/m0/s1
InChIKey KHFULICTXBCFCV-RLBRRGQKSA-N
SMILES C1CC=C(C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=CC=CC=C5F)C(=O)NCC6CC6)CO
ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-7-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:97561) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-8940 LINCS
View more database links