CHEBI:101008 - 1-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea

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ChEBI Name 1-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
ChEBI ID CHEBI:101008
Stars This entity has been manually annotated by a third party.
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Formula C20H28FN5O3
Net Charge 0
Average Mass 405.467
Monoisotopic Mass 405.21762
InChI InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19+/m0/s1
InChIKey BSYBIQMXMHXRRQ-JENIJYKNSA-N
SMILES CCCNC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F
ChEBI Ontology
Outgoing 1-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea (CHEBI:101008) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-12381 LINCS
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