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CHEBI:193579 - 2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(3-pyridinyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide

ChEBI IDCHEBI:193579
ChEBI Name2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(3-pyridinyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35N3O3S
Net Charge0
Average Mass505.684
Monoisotopic Mass505.23991
SMILES[H][C@]12Cc3sc(-c4cccnc4)nc3[C@@H](CC(=O)N[C@H](C)c3ccccc3)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
InChIInChI=1S/C29H35N3O3S/c1-18(19-8-5-4-6-9-19)31-25(35)14-21-26-22(36-27(32-26)20-10-7-13-30-16-20)15-23-28(21,2)12-11-24(34)29(23,3)17-33/h4-10,13,16,18,21,23-24,33-34H,11-12,14-15,17H2,1-3H3,(H,31,35)/t18-,21-,23+,24-,28+,29+/m1/s1
InChIKeyLZLZXASCHMCHLP-WTRSAAFISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(3-pyridinyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:193579) is a naphthothiazole (CHEBI:48903)
IUPAC Name 
2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-pyridin-3-yl-4,5,6,7,8a,9-hexahydrobenzo[][1,3]benzothiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide
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