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CHEBI:100421 - N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:100421
ChEBI NameN-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC25H34N2O7S
Net Charge0
Average Mass506.621
Monoisotopic Mass506.20867
SMILESCO[C@H](CN(C)C(=O)c1ccc2c(c1)OCO2)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24-/m1/s1
InChIKeyXFQUVXMASIHRAZ-YDIMBITNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:100421) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-11796LINCS