CHEBI:101939 - 3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea
ChEBI ID CHEBI:101939
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H38FN3O4
Net Charge 0
Average Mass 439.565
Monoisotopic Mass 439.28463
InChI InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m1/s1
InChIKey IUSZJOKEOVUDOA-HMFYCAOWSA-N
SMILES C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2CCOCC2)OC
ChEBI Ontology
Outgoing 3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea (CHEBI:101939) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13300 LINCS
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