CHEBI:118993 - 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea ChEBI ID CHEBI:118993 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H28N6O4 Net Charge 0 Average Mass 452.507 Monoisotopic Mass 452.21720 InChI InChI=1S/C23H28N6O4/c1-32-21-7-3-2-6-18(21)25-23(31)26-19-9-8-17(33-22(19)15-30)10-12-29-14-20(27-28-29)16-5-4-11-24-13-16/h2-7,11,13-14,17,19,22,30H,8-10,12,15H2,1H3,(H2,25,26,31)/t17-,19+,22-/m0/s1 InChIKey IYNBDOOKZCJAQL-KPLVRAHFSA-N SMILES COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4 ChEBI Ontology Outgoing 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea (CHEBI:118993) is a C-glycosyl compound (CHEBI:20857) Manual Xref Database LSM-30442 LINCS View more database links