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CHEBI:124205 - 4-[[[(2R,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:124205
ChEBI Name4-[[[(2R,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
Stars
DownloadsMolfile
FormulaC26H35N3O5
Net Charge0
Average Mass469.582
Monoisotopic Mass469.25767
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C26H35N3O5/c1-17-13-29(18(2)16-30)25(31)21-7-6-8-22(27(3)4)24(21)34-23(17)15-28(5)14-19-9-11-20(12-10-19)26(32)33/h6-12,17-18,23,30H,13-16H2,1-5H3,(H,32,33)/t17-,18+,23+/m1/s1
InChIKeyUVOFBRDPHAWRDI-STSQHVNTSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[[(2R,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:124205) is a benzoic acids (CHEBI:22723)
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