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

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ChEBI Name 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 ID CHEBI:124666
Stars This entity has been manually annotated by a third party.
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Formula C20H33N3O5S
Net Charge 0
Average Mass 427.560
Monoisotopic Mass 427.21409
InChI InChI=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
InChIKey GJNVPSGZCJMKRU-CLCXKQKWSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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)
Manual Xref Database
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