(Q27076674)

CHEMBL1240873 (English)

3 October 2016

chemical formula

C₂₈H₃₈N₈O₆

1 reference

CHEMBL1240873 (English)

3 October 2016

canonical SMILES

CCC(C(=O)C(=O)NCCCN1C=NC2=C1N=C(N=C2N)OC)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3

1 reference

CHEMBL1240873 (English)

3 October 2016

isomeric SMILES

CCC(C(=O)C(=O)NCCCN1C=NC2=C1N=C(N=C2N)OC)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3

1 reference

CHEMBL1240873 (English)

InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL1240873 (English)

MBPXUEHDROHPFW-ANYOKISRSA-N

3 October 2016

InChIKey

1 reference

CHEMBL1240873 (English)

3 October 2016

1 reference

Benzyl {(2S)-1-[(1-{[3-(6-amino-2-methoxy-9H-purin-9-yl)propyl]amino}-1,2-dioxo-3-pentanyl)amino]-4-methyl-1-oxo-2-pentanyl}carbamate (English)

3 October 2016

1 reference

CHEMBL1240873 (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

CHEMBL1240873 (English)

3 October 2016

1 reference

8614

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8614

compound 4b [PMID: 20690647] (English)