CHEBI:118913 - N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]propanamide
ChEBI ID CHEBI:118913
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H26F3N3O4
Net Charge 0
Average Mass 417.423
Monoisotopic Mass 417.18754
InChI InChI=1S/C19H26F3N3O4/c1-2-17(27)25-15-8-7-14(29-16(15)11-26)9-10-23-18(28)24-13-5-3-12(4-6-13)19(20,21)22/h3-6,14-16,26H,2,7-11H2,1H3,(H,25,27)(H2,23,24,28)/t14-,15-,16+/m0/s1
InChIKey IVJDFQRYYIVNGV-HRCADAONSA-N
SMILES CCC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F
ChEBI Ontology
Outgoing N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]propanamide (CHEBI:118913) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-30362 LINCS
View more database links