(2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid (Q27453278)

CHEMBL3236357 (English)

19 October 2016

chemical formula

C₃₃H₃₇Cl₂FN₂O₅S₂

1 reference

CHEMBL3236357 (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)F)C4=CC(=CC=C4)Cl)CC5=NC=C(S5)CC(=O)O

1 reference

CHEMBL3236357 (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)F)C4=CC(=CC=C4)Cl)CC5=NC=C(S5)CC(=O)O

1 reference

CHEMBL3236357 (English)

InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3236357 (English)

HNLHOKSDTBAERS-CWIPYCOQSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3236357 (English)

19 October 2016

1 reference

(2-{[(3R,5R,6S)-6-(4-Chloro-3-fluorophenyl)-5-(3-chlorophenyl)-1-{(1S)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-methyl-2-oxo-3-piperidinyl]methyl}-1,3-thiazol-5-yl)acetic acid (English)

19 October 2016

2 references