5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine (Q27455271)

OSB-AMS (1) (English)

19 October 2016

chemical formula

C₂₁H₂₂N₆O₁₀S

1 reference

OSB-AMS (1) (English)

19 October 2016

canonical SMILES

C1=CC=C(C(=C1)C(=O)CCC(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C(=O)O

1 reference

OSB-AMS (1) (English)

19 October 2016

isomeric SMILES

C1=CC=C(C(=C1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)C(=O)O

1 reference

OSB-AMS (1) (English)

InChI=1S/C21H22N6O10S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(31)16(30)13(37-20)7-36-38(34,35)26-14(29)6-5-12(28)10-3-1-2-4-11(10)21(32)33/h1-4,8-9,13,16-17,20,30-31H,5-7H2,(H,26,29)(H,32,33)(H2,22,23,24)/t13-,16-,17-,20-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

OSB-AMS (1) (English)

JRKRGBFWNBVHHH-AEVYOOLXSA-N

19 October 2016

InChIKey

1 reference

OSB-AMS (1) (English)

19 October 2016

2 references

OSB-AMS (1) (English)

matched by identifier from

19 October 2016

InChIKey

JRKRGBFWNBVHHH-AEVYOOLXSA-N

1 reference

0 references

1 reference

5C5H (English)