CHEBI:100739 - 1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea
ChEBI ID CHEBI:100739
Stars This entity has been manually annotated by a third party.
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Formula C23H32FN3O5S
Net Charge 0
Average Mass 481.583
Monoisotopic Mass 481.20467
InChI InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18-,22-/m1/s1
InChIKey PETXHQBGDUFNPW-JBYIUTFZSA-N
SMILES C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC
ChEBI Ontology
Outgoing 1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea (CHEBI:100739) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12113 LINCS
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