(3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide (Q27452670)

CHEMBL589399 (English)

19 October 2016

chemical formula

C₂₈H₄₅ClN₄O₃

1 reference

CHEMBL589399 (English)

19 October 2016

canonical SMILES

CC(=O)NCCCC(C1CCCN(C1)C(=O)NC(CC2CCCCC2)CNC)(C3=CC(=CC=C3)Cl)O

1 reference

CHEMBL589399 (English)

19 October 2016

isomeric SMILES

CC(=O)NCCC[C@]([C@@H]1CCCN(C1)C(=O)N[C@@H](CC2CCCCC2)CNC)(C3=CC(=CC=C3)Cl)O

1 reference

CHEMBL589399 (English)

InChI=1S/C28H45ClN4O3/c1-21(34)31-15-8-14-28(36,23-11-6-13-25(29)18-23)24-12-7-16-33(20-24)27(35)32-26(19-30-2)17-22-9-4-3-5-10-22/h6,11,13,18,22,24,26,30,36H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,31,34)(H,32,35)/t24-,26+,28-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL589399 (English)

PPGUIDOUTGLYCO-MAARLIENSA-N

19 October 2016

InChIKey

1 reference

CHEMBL589399 (English)

19 October 2016

1 reference

(3R)-3-[(1S)-4-Acetamido-1-(3-chlorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide (English)

19 October 2016

2 references

CHEMBL589399 (English)

matched by identifier from

19 October 2016

InChIKey

PPGUIDOUTGLYCO-MAARLIENSA-N

1 reference

CHEMBL589399 (English)

19 October 2016

1 reference

0 references

1 reference

3KM4 (English)