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CHEBI:129519 - 3-cyclohexyl-1-[[(2S,3S)-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:129519
ChEBI Name3-cyclohexyl-1-[[(2S,3S)-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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FormulaC25H40N4O4
Net Charge0
Average Mass460.619
Monoisotopic Mass460.30496
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(cccc2N(C)C)C1=O
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+/m0/s1
InChIKeyLUEDFXFVYWVEMN-NJNPRVFISA-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,3S)-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:129519) is a dialkylarylamine (CHEBI:23665)
3-cyclohexyl-1-[[(2S,3S)-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:129519) is a tertiary amino compound (CHEBI:50996)
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