CHEBI:101550 - 1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea
ChEBI ID CHEBI:101550
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H34FN3O5
Net Charge 0
Average Mass 475.554
Monoisotopic Mass 475.24825
InChI InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m0/s1
InChIKey DMFJOGMIMQDBLX-HOOSLVGPSA-N
SMILES C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC
ChEBI Ontology
Outgoing 1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea (CHEBI:101550) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-12913 LINCS
View more database links