CHEBI:99652 - (2R,3R,3aS,9bS)-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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ChEBI Name (2R,3R,3aS,9bS)-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 ID CHEBI:99652
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:534594
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Formula C20H24N4O4
Net Charge 0
Average Mass 384.430
Monoisotopic Mass 384.17976
InChI InChI=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-/m1/s1
InChIKey XIODHUUFDRNNKZ-XYVMCAHJSA-N
SMILES CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@H]([C@@H]1C(=O)OC)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-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:99652) is a α-amino acid ester (CHEBI:46874)
Manual Xref Database
LSM-11031 LINCS
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