CHEBI:102816 - N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
ChEBI ID CHEBI:102816
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H36FN3O5
Net Charge 0
Average Mass 453.548
Monoisotopic Mass 453.26390
InChI InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17+,21+/m0/s1
InChIKey OIIKGOKDOCINHJ-CSODHUTKSA-N
SMILES C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC
ChEBI Ontology
Outgoing N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide (CHEBI:102816) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-14162 LINCS
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