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CHEBI:97509 - (3S,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:97509
ChEBI Name(3S,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
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DownloadsMolfile
FormulaC21H31N3O6
Net Charge0
Average Mass421.494
Monoisotopic Mass421.22129
SMILESCOc1cccc(NC(=O)N2C[C@H](O)COC[C@@H]3O[C@H](CC(=O)N(C)C)CC[C@H]32)c1
InChIInChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17-,18+,19-/m0/s1
InChIKeySSPYWNJKRFMGCQ-KANFNMMFSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:97509) is a ureas (CHEBI:47857)
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