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CHEBI:111801 - N-[[(2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide

ChEBI IDCHEBI:111801
ChEBI NameN-[[(2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
Stars
DownloadsMolfile
FormulaC22H33N5O5S
Net Charge0
Average Mass479.603
Monoisotopic Mass479.22024
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C22H33N5O5S/c1-15-10-27(16(2)13-28)22(29)17-8-7-9-18(24(3)4)21(17)32-19(15)11-26(6)33(30,31)20-12-25(5)14-23-20/h7-9,12,14-16,19,28H,10-11,13H2,1-6H3/t15-,16-,19+/m1/s1
InChIKeyNFFRJINEVFDSRM-MDZRGWNJSA-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)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:111801) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:111801) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
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