CHEBI:101775 - N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
ChEBI ID CHEBI:101775
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H36F3N3O5
Net Charge 0
Average Mass 503.556
Monoisotopic Mass 503.26071
InChI InChI=1S/C24H36F3N3O5/c1-16(21(34-4)14-29(3)22(32)18-9-11-35-12-10-18)13-30(17(2)15-31)23(33)28-20-7-5-19(6-8-20)24(25,26)27/h5-8,16-18,21,31H,9-15H2,1-4H3,(H,28,33)/t16-,17+,21-/m1/s1
InChIKey NYUANTAUILYKHE-LLGFUMIMSA-N
SMILES C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC
ChEBI Ontology
Outgoing N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide (CHEBI:101775) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13137 LINCS
View more database links