N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide (Q27467132)

2',6'-Dichloro-4'-[N''-(1H-indole-1-ylacetyl)guanidinomethyl]acetoanilide (English)

19 October 2016

chemical formula

C₂₀H₁₉Cl₂N₅O₂

1 reference

2',6'-Dichloro-4'-[N''-(1H-indole-1-ylacetyl)guanidinomethyl]acetoanilide (English)

19 October 2016

canonical SMILES

CC(=O)NC1=C(C=C(C=C1Cl)CN=C(N)NC(=O)CN2C=CC3=CC=CC=C32)Cl

1 reference

2',6'-Dichloro-4'-[N''-(1H-indole-1-ylacetyl)guanidinomethyl]acetoanilide (English)

19 October 2016

isomeric SMILES

[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3

1 reference

stated in

RCSB protein data bank

PDB ligand ID

VTI

InChI=1S/C20H19Cl2N5O2/c1-12(28)25-19-15(21)8-13(9-16(19)22)10-24-20(23)26-18(29)11-27-7-6-14-4-2-3-5-17(14)27/h2-9H,10-11H2,1H3,(H,25,28)(H3,23,24,26,29)

16 February 2021

Identifiers

InChI

1 reference

2',6'-Dichloro-4'-[N''-(1H-indole-1-ylacetyl)guanidinomethyl]acetoanilide (English)

PTYGSLKLIDGJBA-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

2',6'-Dichloro-4'-[N''-(1H-indole-1-ylacetyl)guanidinomethyl]acetoanilide (English)

19 October 2016

1 reference

N-[N-(4-Acetamido-3,5-dichlorobenzyl)carbamimidoyl]-2-(1H-indol-1-yl)acetamide (English)

19 October 2016

2 references

2',6'-Dichloro-4'-[N''-(1H-indole-1-ylacetyl)guanidinomethyl]acetoanilide (English)

matched by identifier from

19 October 2016

InChIKey

PTYGSLKLIDGJBA-UHFFFAOYSA-N

1 reference

0 references

1 reference

4IVT (English)