6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid (Q27453280)

CHEMBL3236356 (English)

19 October 2016

chemical formula

C₃₄H₃₈Cl₂N₂O₅S

1 reference

CHEMBL3236356 (English)

19 October 2016

canonical SMILES

CC1(CC(C(N(C1=O)C(CS(=O)(=O)C(C)(C)C)C2CC2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl)CC5=NC=C(C=C5)C(=O)O

1 reference

CHEMBL3236356 (English)

19 October 2016

isomeric SMILES

C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl)CC5=NC=C(C=C5)C(=O)O

1 reference

CHEMBL3236356 (English)

InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3236356 (English)

PNBIDSMJDDJULQ-JCUDBWTNSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3236356 (English)

19 October 2016

1 reference

6-{[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-{(1S)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-methyl-2-oxo-3-piperidinyl]methyl}nicotinic acid (English)

19 October 2016

1 reference