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CHEBI:100490 - (3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:100490
ChEBI Name(3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-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
FormulaC21H32N4O6
Net Charge0
Average Mass436.509
Monoisotopic Mass436.23218
SMILESCc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21
InChIInChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17-,18+/m0/s1
InChIKeyXOXZVIQHUYDNGA-XWTMOSNGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:100490) is a oxanes (CHEBI:46942)
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