CHEBI:118202 - N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(1-piperidinyl)propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(1-piperidinyl)propanamide
ChEBI ID CHEBI:118202
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H33Cl2N3O4
Net Charge 0
Average Mass 486.433
Monoisotopic Mass 485.18481
InChI InChI=1S/C23H33Cl2N3O4/c24-18-6-4-16(12-19(18)25)14-26-23(31)13-17-5-7-20(21(15-29)32-17)27-22(30)8-11-28-9-2-1-3-10-28/h4,6,12,17,20-21,29H,1-3,5,7-11,13-15H2,(H,26,31)(H,27,30)/t17-,20-,21-/m1/s1
InChIKey LTXSPIFYGNBEMC-DUXKGJEZSA-N
SMILES C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
ChEBI Ontology
Outgoing N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(1-piperidinyl)propanamide (CHEBI:118202) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-29651 LINCS
View more database links