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CHEBI:99510 - 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone

ChEBI IDCHEBI:99510
ChEBI Name2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
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DownloadsMolfile
FormulaC27H37N3O4S
Net Charge0
Average Mass499.677
Monoisotopic Mass499.25048
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23+,24+,25-/m0/s1
InChIKeyXKLJDQDBSRSGED-LIONHTAISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone (CHEBI:99510) is a piperidines (CHEBI:26151)
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