2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid (Q27463981)

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(Methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic Acid (English)

19 October 2016

chemical formula

C₂₇H₂₅Cl₂N₃O₃S

1 reference

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(Methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic Acid (English)

19 October 2016

canonical SMILES

CNCCNCC(=O)NC1=CC=CC(=C1)C#CC2=CC(=C(C=C2)C(=O)O)SCC3=CC(=C(C=C3)Cl)Cl

1 reference

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(Methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic Acid (English)

InChI=1S/C27H25Cl2N3O3S/c1-30-11-12-31-16-26(33)32-21-4-2-3-18(13-21)5-6-19-7-9-22(27(34)35)25(15-19)36-17-20-8-10-23(28)24(29)14-20/h2-4,7-10,13-15,30-31H,11-12,16-17H2,1H3,(H,32,33)(H,34,35)

19 October 2016

Identifiers

InChI

1 reference

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(Methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic Acid (English)

ZFBIDSCNZFTQMQ-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(Methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic Acid (English)

19 October 2016

1 reference

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid (English)

19 October 2016

1 reference

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(Methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic Acid (English)

19 October 2016

1 reference

0 references

1 reference

3QCM (English)