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CHEBI:99728 - (3R,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:99728
ChEBI Name(3R,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
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DownloadsMolfile
FormulaC23H29N5O5
Net Charge0
Average Mass455.515
Monoisotopic Mass455.21687
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccncn1
InChIInChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19+,20+,21-/m1/s1
InChIKeyDCLGJFWUMIZFMI-IVAOSVALSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:99728) is a ureas (CHEBI:47857)
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