CHEBI:101016 - 3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea

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ChEBI Name 3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
ChEBI ID CHEBI:101016
Stars This entity has been manually annotated by a third party.
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Formula C24H34FN3O5S
Net Charge 0
Average Mass 495.609
Monoisotopic Mass 495.22032
InChI InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19+,23+/m1/s1
InChIKey IMMALVOVYMCCKV-MSYCTHLASA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC
ChEBI Ontology
Outgoing 3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea (CHEBI:101016) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12389 LINCS
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