N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide (Q27463061)

nicotinoyl guanidine, 22 (English)

19 October 2016

chemical formula

C₂₈H₃₂N₆O₄

1 reference

nicotinoyl guanidine, 22 (English)

19 October 2016

canonical SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=CC=C5

1 reference

nicotinoyl guanidine, 22 (English)

19 October 2016

isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=CC=C5

1 reference

nicotinoyl guanidine, 22 (English)

InChI=1S/C28H32N6O4/c1-19-15-21-16-22(9-10-24(21)38-19)30-28(32-26(36)20-7-6-11-29-17-20)31-23-8-2-3-14-34(27(23)37)18-25(35)33-12-4-5-13-33/h6-7,9-11,15-17,23H,2-5,8,12-14,18H2,1H3,(H2,30,31,32,36)/t23-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

nicotinoyl guanidine, 22 (English)

GNYXHJVKEWBHAI-QHCPKHFHSA-N

19 October 2016

InChIKey

1 reference

nicotinoyl guanidine, 22 (English)

19 October 2016

1 reference

N-{[(2-Methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylene}nicotinamide (English)

19 October 2016

2 references

nicotinoyl guanidine, 22 (English)

matched by identifier from

19 October 2016

InChIKey

GNYXHJVKEWBHAI-QHCPKHFHSA-N

1 reference

CHEMBL567904 (English)

19 October 2016

1 reference

0 references

1 reference

3K9X (English)