CHEBI:101542 - N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide

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ChEBI Name N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide
ChEBI ID CHEBI:101542
Stars This entity has been manually annotated by a third party.
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Formula C21H33N3O4S2
Net Charge 0
Average Mass 455.637
Monoisotopic Mass 455.19125
InChI InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20-/m1/s1
InChIKey APKXKRHWPGHKNH-WSTZPKSXSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide (CHEBI:101542) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12905 LINCS
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