CHEBI:124734 - 1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
ChEBI ID CHEBI:124734
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H34FN5O4
Net Charge 0
Average Mass 535.611
Monoisotopic Mass 535.25948
InChI InChI=1S/C29H34FN5O4/c1-19-15-35(20(2)18-36)28(37)25-14-24(33-29(38)32-23-6-4-22(30)5-7-23)8-9-26(25)39-27(19)17-34(3)16-21-10-12-31-13-11-21/h4-14,19-20,27,36H,15-18H2,1-3H3,(H2,32,33,38)/t19-,20-,27-/m0/s1
InChIKey KYCDDKXJGAYPPP-OSOCVKALSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:124734) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-36176 LINCS
View more database links