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CHEBI:97606 - (3S,6aR,8S,10aR)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:97606
ChEBI Name(3S,6aR,8S,10aR)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
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DownloadsMolfile
FormulaC25H36ClN3O5
Net Charge0
Average Mass494.032
Monoisotopic Mass493.23435
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1
InChIInChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21-,22+,23-/m0/s1
InChIKeySYCYKHHPUCXRJT-GPJHCHHRSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,6aR,8S,10aR)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:97606) is a ureas (CHEBI:47857)
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