CHEBI:71524 - 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine

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ChEBI Name 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine ChEBI ID CHEBI:71524 ChEBI ASCII Name 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine Definition A carbamate ester of thymidine in which the 5'-hydroxy group has been esterified with [3-(benzoyloxy)-3-oxopropyl]carbamic acid, Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H23N3O9 Net Charge 0 Average Mass 461.42200 Monoisotopic Mass 461.14343 InChI InChI=1S/C21H23N3O9/c1-12-10-24(20(29)23-18(12)27)16-9-14(25)15(32-16)11-31-21(30)22-8-7-17(26)33-19(28)13-5-3-2-4-6-13/h2-6,10,14-16,25H,7-9,11H2,1H3,(H,22,30)(H,23,27,29)/t14-,15+,16+/m0/s1 InChIKey DLBSZHGZKIHVDU-ARFHVFGLSA-N SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)NCCC(=O)OC(=O)c3ccccc3)O2)c(=O)[nH]c1=O ChEBI Ontology Outgoing 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine (CHEBI:71524) has functional parent thymidine (CHEBI:17748) 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine (CHEBI:71524) is a carbamate ester (CHEBI:23003) IUPAC Name 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine Citation Type Source 9506942 PubMed citation Europe PMC Last Modified 03 January 2013