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CHEBI:124666 - 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-methylmethanesulfonamide

ChEBI IDCHEBI:124666
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-methylmethanesulfonamide
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FormulaC20H33N3O5S
Net Charge0
Average Mass427.567
Monoisotopic Mass427.21409
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C20H33N3O5S/c1-14-11-23(15(2)13-24)20(25)10-16-9-17(21(3)4)7-8-18(16)28-19(14)12-22(5)29(6,26)27/h7-9,14-15,19,24H,10-13H2,1-6H3/t14-,15-,19+/m1/s1
InChIKeyGJNVPSGZCJMKRU-CLCXKQKWSA-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-methylmethanesulfonamide (CHEBI:124666) 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-methylmethanesulfonamide (CHEBI:124666) is a tertiary amino compound (CHEBI:50996)
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