CHEBI:102642 - 1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea

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ChEBI Name 1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea
ChEBI ID CHEBI:102642
Stars This entity has been manually annotated by a third party.
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Formula C24H33ClFN3O3
Net Charge 0
Average Mass 465.989
Monoisotopic Mass 465.21945
InChI InChI=1S/C24H33ClFN3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)25)23(32-4)15-28(3)24(31)27-21-11-9-20(26)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18-,23+/m0/s1
InChIKey OEVRCWMHWGKQED-IUKKYPGJSA-N
SMILES C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)F)OC
ChEBI Ontology
Outgoing 1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:102642) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13989 LINCS
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