5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((S)-3-methyl-1-{(S)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide (Q27456656)

CHEMBL284939 (English)

19 October 2016

chemical formula

C₄₀H₄₇N₅O₇

1 reference

CHEMBL284939 (English)

19 October 2016

canonical SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3)NC(=O)C4=CC5=C(O4)C=CC(=C5)OCCN6CCOCC6

1 reference

CHEMBL284939 (English)

19 October 2016

isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3)NC(=O)C4=CC5=C(O4)C=CC(=C5)OCCN6CCOCC6

1 reference

CHEMBL284939 (English)

InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL284939 (English)

KRMYDWCAHQJBOD-HEVIKAOCSA-N

19 October 2016

InChIKey

1 reference

CHEMBL284939 (English)

19 October 2016

1 reference

N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-{[3-(2-pyridinyl)phenyl]acetyl}-4-azepanyl]amino}-2-pentanyl]-5-[2-(4-morpholinyl)ethoxy]-1-benzofuran-2-carboxamide (English)

19 October 2016

2 references