CHEBI:100373 - 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

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ChEBI Name 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
ChEBI ID CHEBI:100373
Stars This entity has been manually annotated by a third party.
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Formula C15H24F3NO5
Net Charge 0
Average Mass 355.351
Monoisotopic Mass 355.16066
InChI InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12-,13+/m0/s1
InChIKey NGKDTDLAKVOKMV-ZDEQEGDKSA-N
SMILES COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CCC(F)(F)F)O
ChEBI Ontology
Outgoing 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester (CHEBI:100373) is a oxanes (CHEBI:46942)
Manual Xref Database
LSM-11748 LINCS
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