(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide (Q27460063)

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide (English)

19 October 2016

chemical formula

C₂₉H₄₁N₃O₅S

1 reference

stated in

RCSB protein data bank

PDB ligand ID

ETG

16 February 2021

canonical SMILES

CN(C=1C2=C(C(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C4)C5)C=CC1)C

1 reference

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide (English)

19 October 2016

isomeric SMILES

CN(C=1C2=C(C(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)[C@@]34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C=CC1)C

1 reference

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide (English)

InChI=1S/C29H41N3O5S/c1-32(2)26-7-3-6-25-24(26)5-4-8-27(25)38(34,35)31-10-12-37-14-13-36-11-9-30-28(33)29-18-21-15-22(19-29)17-23(16-21)20-29/h3-8,21-23,31H,9-20H2,1-2H3,(H,30,33)/t21-,22+,23-,29-

19 October 2016

Identifiers

InChI

1 reference

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide (English)

BPWBIQJYXZSEKW-SJNZTUBNSA-N

19 October 2016

InChIKey

1 reference

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide (English)

19 October 2016

1 reference

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide (English)

19 October 2016

0 references

1 reference

3P6O (English)