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CHEBI:124497 - N-[[(2S,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,3,5-trimethyl-4-isoxazolesulfonamide

ChEBI IDCHEBI:124497
ChEBI NameN-[[(2S,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,3,5-trimethyl-4-isoxazolesulfonamide
Stars
DownloadsMolfile
FormulaC24H36N4O6S
Net Charge0
Average Mass508.641
Monoisotopic Mass508.23556
SMILESCc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C24H36N4O6S/c1-15-12-28(16(2)14-29)23(30)11-19-10-20(26(5)6)8-9-21(19)33-22(15)13-27(7)35(31,32)24-17(3)25-34-18(24)4/h8-10,15-16,22,29H,11-14H2,1-7H3/t15-,16-,22-/m1/s1
InChIKeyVPKXPFIHFFRAMM-XCGNWRKASA-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-[[(2S,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,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:124497) is a dialkylarylamine (CHEBI:23665)
N-[[(2S,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,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:124497) is a tertiary amino compound (CHEBI:50996)
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