CHEBI:118028 - 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea

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ChEBI Name 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
ChEBI ID CHEBI:118028
Stars This entity has been manually annotated by a third party.
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Formula C23H28N6O4
Net Charge 0
Average Mass 452.507
Monoisotopic Mass 452.21720
InChI InChI=1S/C23H28N6O4/c1-32-17-7-5-16(6-8-17)25-23(31)26-20-10-9-18(33-22(20)15-30)11-13-29-14-21(27-28-29)19-4-2-3-12-24-19/h2-8,12,14,18,20,22,30H,9-11,13,15H2,1H3,(H2,25,26,31)/t18-,20-,22+/m0/s1
InChIKey YPLZJHKSEUDEKT-RCZSKKKRSA-N
SMILES COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CC=CC=N4
ChEBI Ontology
Outgoing 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea (CHEBI:118028) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
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