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CHEBI:108672 - N-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide

ChEBI IDCHEBI:108672
ChEBI NameN-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
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DownloadsMolfile
FormulaC23H35N5O5S
Net Charge0
Average Mass493.630
Monoisotopic Mass493.23589
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C23H35N5O5S/c1-16-11-28(17(2)14-29)23(30)10-18-9-19(25(3)4)7-8-20(18)33-21(16)12-27(6)34(31,32)22-13-26(5)15-24-22/h7-9,13,15-17,21,29H,10-12,14H2,1-6H3/t16-,17-,21+/m1/s1
InChIKeyXKGXVARXDYWWSM-LZJOCLMNSA-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-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:108672) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:108672) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
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