3',5'-dideoxy-5'-[({5-[(3as,4S,6ar)-2-oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine (Q27454402)

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

19 October 2016

chemical formula

C₂₀H₂₉N₉O₆S₂

1 reference

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

19 October 2016

canonical SMILES

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5

1 reference

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

19 October 2016

isomeric SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5

1 reference

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

InChI=1S/C20H29N9O6S2/c21-17-16-18(23-8-22-17)29(9-24-16)19-12(30)5-10(35-19)6-25-37(33,34)28-14(31)4-2-1-3-13-15-11(7-36-13)26-20(32)27-15/h8-13,15,19,25,30H,1-7H2,(H,28,31)(H2,21,22,23)(H2,26,27,32)/t10-,11-,12+,13-,15-,19+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

CZQLNGUCLOAYQM-TVYLXWJSSA-N

19 October 2016

InChIKey

1 reference

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

19 October 2016

2 references

3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}sulfamoyl)amino]adenosine (English)

matched by identifier from

19 October 2016

InChIKey

CZQLNGUCLOAYQM-TVYLXWJSSA-N

1 reference

CHEMBL3614084 (English)

19 October 2016

1 reference

0 references

1 reference

4XU2 (English)