CHEBI:102944 - 2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide

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ChEBI Name 2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
ChEBI ID CHEBI:102944
Stars This entity has been manually annotated by a third party.
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Formula C25H30FN3O6S
Net Charge 0
Average Mass 519.588
Monoisotopic Mass 519.18394
InChI InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21-,23+/m1/s1
InChIKey MAZJZTZSELFTOO-AAIMPIBUSA-N
SMILES CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C
ChEBI Ontology
Outgoing 2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:102944) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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