methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate (Q27454708)

CHEMBL3398641 (English)

19 October 2016

chemical formula

C₂₉H₂₄Cl₂N₈O₃

1 reference

CHEMBL3398641 (English)

19 October 2016

canonical SMILES

COC(=O)NC1=CC=C(C=C1)C2=C(NC(=N2)C(CC3=CC=CC=C3)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5)Cl

1 reference

CHEMBL3398641 (English)

19 October 2016

isomeric SMILES

COC(=O)NC1=CC=C(C=C1)C2=C(NC(=N2)[C@H](CC3=CC=CC=C3)NC(=O)/C=C/C4=C(C=CC(=C4)Cl)N5C=NN=N5)Cl

1 reference

CHEMBL3398641 (English)

InChI=1S/C29H24Cl2N8O3/c1-42-29(41)33-22-11-7-19(8-12-22)26-27(31)36-28(35-26)23(15-18-5-3-2-4-6-18)34-25(40)14-9-20-16-21(30)10-13-24(20)39-17-32-37-38-39/h2-14,16-17,23H,15H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3398641 (English)

GLCBWRQIUCCILC-PZVJUEDKSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3398641 (English)

19 October 2016

1 reference

Methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-2-propenoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate (English)

19 October 2016

1 reference