CHEBI:124374 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

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ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea ChEBI ID CHEBI:124374 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 C30H39N5O6 Net Charge 0 Average Mass 565.662 Monoisotopic Mass 565.29003 InChI InChI=1S/C30H39N5O6/c1-18-14-35(19(2)17-36)29(37)25-13-23(31-30(38)32-28-20(3)33-41-21(28)4)9-12-26(25)40-27(18)16-34(5)15-22-7-10-24(39-6)11-8-22/h7-13,18-19,27,36H,14-17H2,1-6H3,(H2,31,32,38)/t18-,19-,27-/m1/s1 InChIKey BCKUAPRXEALVIM-DRGJWEBESA-N SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC)[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 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:124374) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-35816 LINCS View more database links