CHEBI:118765 - 2-[(2R,3R,6R)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(2R,3R,6R)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide
ChEBI ID CHEBI:118765
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H28FN3O4
Net Charge 0
Average Mass 489.539
Monoisotopic Mass 489.20638
InChI InChI=1S/C28H28FN3O4/c29-23-8-4-5-9-24(23)31-28(35)32-25-15-14-22(36-26(25)18-33)16-27(34)30-17-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-15,22,25-26,33H,16-18H2,(H,30,34)(H2,31,32,35)/t22-,25+,26-/m0/s1
InChIKey CHMWYEVRTWMFCL-DFCKQENNSA-N
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=CC=CC=C4F
ChEBI Ontology
Outgoing 2-[(2R,3R,6R)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:118765) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-30214 LINCS
View more database links