CHEBI:101852 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea

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ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea
ChEBI ID CHEBI:101852
Stars This entity has been manually annotated by a third party.
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Formula C19H31N5O5
Net Charge 0
Average Mass 409.481
Monoisotopic Mass 409.23252
InChI InChI=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-/m0/s1
InChIKey ZKSUBHWMVQQNNI-JYJNAYRXSA-N
SMILES CC1=C(C(=NO1)C)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C
ChEBI Ontology
Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea (CHEBI:101852) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-13214 LINCS
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