(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide (Q27455379)

CHEMBL1230339 (English)

19 October 2016

chemical formula

C₂₈H₂₆ClF₃N₄O₄S

1 reference

CHEMBL1230339 (English)

19 October 2016

canonical SMILES

C1CC(N(C1)C(=O)C(C(C(=O)NCC2=CC=C(S2)CN3C4=CC=CC=C4N=C3C(F)(F)F)O)O)C5=CC(=CC=C5)Cl

1 reference

CHEMBL1230339 (English)

19 October 2016

isomeric SMILES

C1C[C@@H](N(C1)C(=O)[C@@H]([C@H](C(=O)NCC2=CC=C(S2)CN3C4=CC=CC=C4N=C3C(F)(F)F)O)O)C5=CC(=CC=C5)Cl

1 reference

CHEMBL1230339 (English)

InChI=1S/C28H26ClF3N4O4S/c29-17-6-3-5-16(13-17)21-9-4-12-35(21)26(40)24(38)23(37)25(39)33-14-18-10-11-19(41-18)15-36-22-8-2-1-7-20(22)34-27(36)28(30,31)32/h1-3,5-8,10-11,13,21,23-24,37-38H,4,9,12,14-15H2,(H,33,39)/t21-,23-,24-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1230339 (English)

JSNHRUZOJTYCCL-GMKZXUHWSA-N

19 October 2016

InChIKey

1 reference

CHEMBL1230339 (English)

19 October 2016

1 reference

(2R,3R)-4-[(2R)-2-(3-Chlorophenyl)-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-2-thienyl)methyl]butanamide (English)

19 October 2016

2 references