(2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate (Q27463005)

CHEMBL118719 (English)

19 October 2016

chemical formula

C₃₄H₄₉N₅O₆S

1 reference

CHEMBL118719 (English)

19 October 2016

canonical SMILES

CSCC(C(=O)NC(CC1CCCCC1)C(COC2=CC=NC=C2)O)NC(=O)C(CC3=CC=CC=C3)OC(=O)N4CCC(CC4)N

1 reference

CHEMBL118719 (English)

19 October 2016

isomeric SMILES

CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COC2=CC=NC=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)OC(=O)N4CCC(CC4)N

1 reference

CHEMBL118719 (English)

InChI=1S/C34H49N5O6S/c1-46-23-29(32(41)37-28(20-24-8-4-2-5-9-24)30(40)22-44-27-12-16-36-17-13-27)38-33(42)31(21-25-10-6-3-7-11-25)45-34(43)39-18-14-26(35)15-19-39/h3,6-7,10-13,16-17,24,26,28-31,40H,2,4-5,8-9,14-15,18-23,35H2,1H3,(H,37,41)(H,38,42)/t28-,29-,30-,31-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL118719 (English)

KLENYDNRGAWIAG-ORYMTKCHSA-N

19 October 2016

InChIKey

1 reference

CHEMBL118719 (English)

19 October 2016

1 reference

(2S)-1-{[(2R)-1-{[(2S,3R)-1-Cyclohexyl-3-hydroxy-4-(4-pyridinyloxy)-2-butanyl]amino}-3-(methylsulfanyl)-1-oxo-2-propanyl]amino}-1-oxo-3-phenyl-2-propanyl 4-amino-1-piperidinecarboxylate (English)

19 October 2016

1 reference