CHEBI:127217 - 3-cyclohexyl-1-[[(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-cyclohexyl-1-[[(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea ChEBI ID CHEBI:127217 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 C25H40N4O4 Net Charge 0 Average Mass 460.610 Monoisotopic Mass 460.30496 InChI InChI=1S/C25H40N4O4/c1-17-14-29(18(2)16-30)24(31)20-12-9-13-21(27(3)4)23(20)33-22(17)15-28(5)25(32)26-19-10-7-6-8-11-19/h9,12-13,17-19,22,30H,6-8,10-11,14-16H2,1-5H3,(H,26,32)/t17-,18-,22-/m0/s1 InChIKey LUEDFXFVYWVEMN-SPEDKVCISA-N SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-cyclohexyl-1-[[(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:127217) is a dialkylarylamine (CHEBI:23665) 3-cyclohexyl-1-[[(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:127217) is a tertiary amino compound (CHEBI:50996) Manual Xref Database LSM-38777 LINCS View more database links