CHEBI:108638 - 1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea ChEBI ID CHEBI:108638 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H33FN4O4 Net Charge 0 Average Mass 472.553 Monoisotopic Mass 472.24858 InChI InChI=1S/C25H33FN4O4/c1-16-13-30(17(2)15-31)24(32)21-12-20(28(3)4)10-11-22(21)34-23(16)14-29(5)25(33)27-19-8-6-18(26)7-9-19/h6-12,16-17,23,31H,13-15H2,1-5H3,(H,27,33)/t16-,17-,23-/m0/s1 InChIKey FXKMHYTYNRWQSP-QQMNAOGKSA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO ChEBI Ontology Outgoing 1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:108638) is a ureas (CHEBI:47857) Manual Xref Database LSM-20037 LINCS View more database links