CHEBI:99137 - N-[(2R,4aR,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide

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ChEBI Name N-[(2R,4aR,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
ChEBI ID CHEBI:99137
Stars This entity has been manually annotated by a third party.
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Formula C24H25F2N3O5
Net Charge 0
Average Mass 473.470
Monoisotopic Mass 473.17623
InChI InChI=1S/C24H25F2N3O5/c1-27-22(30)11-17-4-5-19-21(34-17)12-33-20-6-3-16(10-18(20)24(32)29(19)2)28-23(31)13-7-14(25)9-15(26)8-13/h3,6-10,17,19,21H,4-5,11-12H2,1-2H3,(H,27,30)(H,28,31)/t17-,19-,21-/m1/s1
InChIKey RQAOUBOGQGVTCU-YFVAEKQCSA-N
SMILES CNC(=O)C[C@H]1CC[C@@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C
ChEBI Ontology
Outgoing N-[(2R,4aR,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide (CHEBI:99137) is a carbonyl compound (CHEBI:36586)
N-[(2R,4aR,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide (CHEBI:99137) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
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