CHEBI:102570 - N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:102570
Stars This entity has been manually annotated by a third party.
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Formula C25H34N2O7S
Net Charge 0
Average Mass 506.614
Monoisotopic Mass 506.20867
InChI InChI=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
InChIKey XFQUVXMASIHRAZ-KHCICDEESA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:102570) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-13917 LINCS
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