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CHEBI:129015 - 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

ChEBI IDCHEBI:129015
ChEBI Name1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
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FormulaC24H32N4O4
Net Charge0
Average Mass440.544
Monoisotopic Mass440.24236
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)C
InChIInChI=1S/C24H32N4O4/c1-16-13-28(17(2)15-29)23(30)20-12-19(10-11-21(20)32-22(16)14-27(3)4)26-24(31)25-18-8-6-5-7-9-18/h5-12,16-17,22,29H,13-15H2,1-4H3,(H2,25,26,31)/t16-,17-,22+/m0/s1
InChIKeyCUCZIJHOBJDKMN-PNLZDCPESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea (CHEBI:129015) is a ureas (CHEBI:47857)
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