CHEBI:100717 - 3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea

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ChEBI Name 3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea
ChEBI ID CHEBI:100717
Stars This entity has been manually annotated by a third party.
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Formula C29H37FN4O3
Net Charge 0
Average Mass 508.629
Monoisotopic Mass 508.28497
InChI InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28+/m1/s1
InChIKey XSSRKRLNCLGOQF-WENCSYSZSA-N
SMILES C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC
ChEBI Ontology
Outgoing 3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea (CHEBI:100717) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12091 LINCS
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