CHEBI:97927 - N-[(2S,3R)-4-[(4-fluorophenyl)carbamoyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-4-[(4-fluorophenyl)carbamoyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
ChEBI ID CHEBI:97927
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
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-/m1/s1
InChIKey OIIKGOKDOCINHJ-LLGFUMIMSA-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,3R)-4-[(4-fluorophenyl)carbamoyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide (CHEBI:97927) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-9306 LINCS
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