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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

ChEBI IDCHEBI:98229
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
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DownloadsMolfile
FormulaC25H30N4O4S
Net Charge0
Average Mass482.606
Monoisotopic Mass482.19878
SMILESO=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1nccs1)N1CCOCC1
InChIInChI=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
InChIKeyXJTVLIMGWLYCNW-PJIZGREPSA-N
ChEBI Ontology
Outgoing Relation(s)
(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)
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