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CHEBI:124806 - 1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

ChEBI IDCHEBI:124806
ChEBI Name1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea
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DownloadsMolfile
FormulaC24H35N5O5
Net Charge0
Average Mass473.574
Monoisotopic Mass473.26382
SMILESCc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C24H35N5O5/c1-14-11-29(15(2)13-30)23(31)19-10-18(27(5)6)8-9-20(19)33-21(14)12-28(7)24(32)25-22-16(3)26-34-17(22)4/h8-10,14-15,21,30H,11-13H2,1-7H3,(H,25,32)/t14-,15+,21-/m1/s1
InChIKeyABTIQNBQOPCZIO-LRAJWGHMSA-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)
1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:124806) is a dialkylarylamine (CHEBI:23665)
1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:124806) is a tertiary amino compound (CHEBI:50996)
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