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CHEBI:100167 - (2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:100167
ChEBI Name(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC25H30N4O5S
Net Charge0
Average Mass498.605
Monoisotopic Mass498.19369
SMILESCS(=O)(=O)N1[C@H](C(=O)NCCc2ccncc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21
InChIInChI=1S/C25H30N4O5S/c1-35(33,34)29-22-19(14-28-21(22)7-6-18(25(28)32)17-4-2-3-5-17)20(15-30)23(29)24(31)27-13-10-16-8-11-26-12-9-16/h4,6-9,11-12,19-20,22-23,30H,2-3,5,10,13-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m0/s1
InChIKeyBCVWPOWNMNUOMW-RLBLXZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:100167) is a amino acid amide (CHEBI:22475)
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