CHEBI:120143 - 1-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
ChEBI ID CHEBI:120143
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28FN5O3
Net Charge 0
Average Mass 405.467
Monoisotopic Mass 405.21762
InChI InChI=1S/C20H28FN5O3/c1-13(2)22-20(28)23-17-8-7-16(29-19(17)12-27)9-10-26-11-18(24-25-26)14-3-5-15(21)6-4-14/h3-6,11,13,16-17,19,27H,7-10,12H2,1-2H3,(H2,22,23,28)/t16-,17-,19+/m1/s1
InChIKey IVGXTVZUVQFGHY-LMMKCTJWSA-N
SMILES CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 1-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea (CHEBI:120143) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-31586 LINCS
View more database links