CHEBI:120113 - N-[(2R,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
ChEBI ID CHEBI:120113
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H22F2N2O4
Net Charge 0
Average Mass 368.376
Monoisotopic Mass 368.15476
InChI InChI=1S/C18H22F2N2O4/c1-2-17(24)22-15-4-3-14(26-16(15)10-23)8-18(25)21-9-11-5-12(19)7-13(20)6-11/h3-7,14-16,23H,2,8-10H2,1H3,(H,21,25)(H,22,24)/t14-,15+,16-/m0/s1
InChIKey KYVBJMXDLCPPRO-XHSDSOJGSA-N
SMILES CCC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC(=C2)F)F
ChEBI Ontology
Outgoing N-[(2R,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide (CHEBI:120113) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
LSM-31556 LINCS
View more database links