CHEBI:101841 - (3R,6aR,8S,10aR)-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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ChEBI Name (3R,6aR,8S,10aR)-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 ID CHEBI:101841
Stars This entity has been manually annotated by a third party.
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Formula C23H29N5O5
Net Charge 0
Average Mass 455.508
Monoisotopic Mass 455.21687
InChI InChI=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
InChIKey DCLGJFWUMIZFMI-MHTWAQMVSA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4
ChEBI Ontology
Outgoing (3R,6aR,8S,10aR)-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:101841) is a ureas (CHEBI:47857)
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