CHEBI:95715 - N-[[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide ChEBI ID CHEBI:95715 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H32FN3O5S Net Charge 0 Average Mass 565.658 Monoisotopic Mass 565.20467 InChI InChI=1S/C30H32FN3O5S/c1-21-18-34(22(2)20-35)40(37,38)29-11-9-23(8-10-25-6-4-5-7-26(25)31)16-27(29)39-28(21)19-33(3)30(36)17-24-12-14-32-15-13-24/h4-7,9,11-16,21-22,28,35H,17-20H2,1-3H3/t21-,22-,28-/m1/s1 InChIKey FRFGYBSWUNYCIP-DQCZWYHMSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide (CHEBI:95715) is a organofluorine compound (CHEBI:37143) Manual Xref Database LSM-7094 LINCS View more database links