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CHEBI:95395 - N-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide

ChEBI IDCHEBI:95395
ChEBI NameN-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC23H33N3O5S2
Net Charge0
Average Mass495.667
Monoisotopic Mass495.18616
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H33N3O5S2/c1-16-13-26(17(2)15-27)22(28)12-18-11-19(24(3)4)8-9-20(18)31-21(16)14-25(5)33(29,30)23-7-6-10-32-23/h6-11,16-17,21,27H,12-15H2,1-5H3/t16-,17+,21+/m1/s1
InChIKeyAXGDQZYYEHOPOR-WWMYMODYSA-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)
N-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:95395) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:95395) is a tertiary amino compound (CHEBI:50996)
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