CHEBI:101009 - N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide

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ChEBI Name N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide ChEBI ID CHEBI:101009 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H32FN3O6S Net Charge 0 Average Mass 593.668 Monoisotopic Mass 593.19959 InChI InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27+,29-/m0/s1 InChIKey ZIFILFAABSOBLR-HWUUJZMBSA-N SMILES CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5 ChEBI Ontology Outgoing N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide (CHEBI:101009) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-12382 LINCS View more database links