CHEBI:100562 - 2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide
ChEBI ID CHEBI:100562
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30N2O5S
Net Charge 0
Average Mass 410.529
Monoisotopic Mass 410.18754
InChI InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19-/m1/s1
InChIKey VPHPWASIVZFRRJ-BHIYHBOVSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)CC3CC3
ChEBI Ontology
Outgoing 2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide (CHEBI:100562) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-11936 LINCS
View more database links