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CHEBI:99406 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea

ChEBI IDCHEBI:99406
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea
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FormulaC19H31N5O5
Net Charge0
Average Mass409.487
Monoisotopic Mass409.23252
SMILESCc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO
InChIInChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16+/m1/s1
InChIKeyZKSUBHWMVQQNNI-PMPSAXMXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea (CHEBI:99406) is a C-glycosyl compound (CHEBI:20857)
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LSM-10785LINCS