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CHEBI:97503 - (2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:97503
ChEBI Name(2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC26H27N5O5
Net Charge0
Average Mass489.532
Monoisotopic Mass489.20122
SMILESCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H27N5O5/c1-2-29-25(33)24-19(12-32)18-11-30-20(5-4-17(26(30)34)16-8-27-13-28-9-16)23(18)31(24)10-15-3-6-21-22(7-15)36-14-35-21/h3-9,13,18-19,23-24,32H,2,10-12,14H2,1H3,(H,29,33)/t18-,19-,23+,24-/m0/s1
InChIKeyARVCVDNKKYJMNG-TWXAQOBRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:97503) is a amino acid amide (CHEBI:22475)
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