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CHEBI:126942 - (3R,6aR,8S,10aR)-N-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:126942
ChEBI Name(3R,6aR,8S,10aR)-N-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
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DownloadsMolfile
FormulaC25H31ClN4O5
Net Charge0
Average Mass502.999
Monoisotopic Mass502.19830
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCCc1ccncc1
InChIInChI=1S/C25H31ClN4O5/c26-18-1-3-19(4-2-18)29-25(33)30-14-20(31)15-34-16-23-22(30)6-5-21(35-23)13-24(32)28-12-9-17-7-10-27-11-8-17/h1-4,7-8,10-11,20-23,31H,5-6,9,12-16H2,(H,28,32)(H,29,33)/t20-,21+,22-,23+/m1/s1
InChIKeyFBDAABQSIPDTIW-ACESQOTJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,6aR,8S,10aR)-N-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:126942) is a ureas (CHEBI:47857)
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