CHEBI:101685 - 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea

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ChEBI Name 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea
ChEBI ID CHEBI:101685
Stars This entity has been manually annotated by a third party.
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Formula C21H31N3O5
Net Charge 0
Average Mass 405.489
Monoisotopic Mass 405.22637
InChI InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19+/m0/s1
InChIKey LPRUTVLBIHKZIS-GBESFXJTSA-N
SMILES COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCCCC3
ChEBI Ontology
Outgoing 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea (CHEBI:101685) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-13048 LINCS
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