CHEBI:101042 - 1-(2,5-difluorophenyl)-3-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-(2,5-difluorophenyl)-3-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea ChEBI ID CHEBI:101042 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 C24H27F2N3O4 Net Charge 0 Average Mass 459.487 Monoisotopic Mass 459.19696 InChI InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22+/m0/s1 InChIKey BOSRLBMZBBTOKS-RCZSKKKRSA-N SMILES C1C[C@@H]([C@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F ChEBI Ontology Outgoing 1-(2,5-difluorophenyl)-3-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea (CHEBI:101042) is a C-glycosyl compound (CHEBI:20857) Manual Xref Database LSM-12415 LINCS View more database links