N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide (Q27453146)

CHEMBL3343300 (English)

19 October 2016

chemical formula

C₄₀H₅₀ClN₃O₁₄S

1 reference

CHEMBL3343300 (English)

19 October 2016

canonical SMILES

CC(C)N1CCC(CC1)C(=O)NC2=C(C=CC=C2OCCCOC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC4=NOC(=C4)C5=CC=C(S5)Cl

1 reference

CHEMBL3343300 (English)

19 October 2016

isomeric SMILES

CC(C)N1CCC(CC1)C(=O)NC2=C(C=CC=C2OCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC4=NOC(=C4)C5=CC=C(S5)Cl

1 reference

CHEMBL3343300 (English)

InChI=1S/C40H50ClN3O14S/c1-22(2)44-15-13-27(14-16-44)39(49)42-35-29(9-7-10-30(35)53-20-28-19-31(58-43-28)33-11-12-34(41)59-33)50-17-8-18-51-40-38(56-26(6)48)37(55-25(5)47)36(54-24(4)46)32(57-40)21-52-23(3)45/h7,9-12,19,22,27,32,36-38,40H,8,13-18,20-21H2,1-6H3,(H,42,49)/t32-,36-,37+,38-,40-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3343300 (English)

GNVQZTIXGHEXLF-NIURAOKHSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3343300 (English)

19 October 2016

1 reference

N-(2-{[5-(5-Chloro-2-thienyl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-isopropyl-4-piperidinecarboxamide (English)

19 October 2016

1 reference