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CHEBI:130692 - 3-cyclohexyl-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:130692
ChEBI Name3-cyclohexyl-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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DownloadsMolfile
FormulaC25H40N4O4
Net Charge0
Average Mass460.619
Monoisotopic Mass460.30496
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)C(=O)NC1CCCCC1
InChIInChI=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-/m1/s1
InChIKeyLUEDFXFVYWVEMN-JBYIUTFZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-cyclohexyl-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:130692) is a dialkylarylamine (CHEBI:23665)
3-cyclohexyl-1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:130692) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
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