CHEBI:101718 - N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide

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ChEBI Name N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
ChEBI ID CHEBI:101718
Stars This entity has been manually annotated by a third party.
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Formula C22H32N4O5S
Net Charge 0
Average Mass 464.580
Monoisotopic Mass 464.20934
InChI InChI=1S/C22H32N4O5S/c1-16-6-8-19(9-7-16)32(29,30)26(18(3)15-27)13-17(2)21(31-5)14-25(4)22(28)20-12-23-10-11-24-20/h6-12,17-18,21,27H,13-15H2,1-5H3/t17-,18-,21-/m0/s1
InChIKey SBBAPVWHPDIFCH-WFXMLNOXSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:101718) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-13080 LINCS
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