CHEBI:101537 - 1-(3-chlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3-chlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea
ChEBI ID CHEBI:101537
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H28ClN5O3
Net Charge 0
Average Mass 469.965
Monoisotopic Mass 469.18807
InChI InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23-/m0/s1
InChIKey QIJBHKKZJCMHEO-VABKMULXSA-N
SMILES C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl
ChEBI Ontology
Outgoing 1-(3-chlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea (CHEBI:101537) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-12900 LINCS
View more database links