CHEBI:98229 - (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
ChEBI ID CHEBI:98229
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H30N4O4S
Net Charge 0
Average Mass 482.597
Monoisotopic Mass 482.19878
InChI InChI=1S/C25H30N4O4S/c30-15-19-18-13-28-20(6-5-17(24(28)31)16-3-1-2-4-16)22(18)29(14-21-26-7-12-34-21)23(19)25(32)27-8-10-33-11-9-27/h3,5-7,12,18-19,22-23,30H,1-2,4,8-11,13-15H2/t18-,19-,22+,23-/m1/s1
InChIKey XJTVLIMGWLYCNW-PJIZGREPSA-N
SMILES C1CC=C(C1)C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4CC5=NC=CS5)C(=O)N6CCOCC6)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one (CHEBI:98229) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-9608 LINCS
View more database links