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CHEBI:99910 - (2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

ChEBI IDCHEBI:99910
ChEBI Name(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC20H24N4O4
Net Charge0
Average Mass384.436
Monoisotopic Mass384.17976
SMILESCCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]21
InChIInChI=1S/C20H24N4O4/c1-3-6-23-17-14(15(10-25)18(23)20(27)28-2)9-24-16(17)5-4-13(19(24)26)12-7-21-11-22-8-12/h4-5,7-8,11,14-15,17-18,25H,3,6,9-10H2,1-2H3/t14-,15-,17+,18-/m0/s1
InChIKeyXIODHUUFDRNNKZ-ONIAQPFYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:99910) is a α-amino acid ester (CHEBI:46874)
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