5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine (Q27458097)

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

19 October 2016

chemical formula

C₂₄H₃₄N₈O₄

1 reference

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

19 October 2016

canonical SMILES

CC1=CC=C(C=C1)NC(=O)NCCCN(CC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C(C)C

1 reference

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

19 October 2016

isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCCCN(C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)C(C)C

1 reference

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

InChI=1S/C24H34N8O4/c1-14(2)31(10-4-9-26-24(35)30-16-7-5-15(3)6-8-16)11-17-19(33)20(34)23(36-17)32-13-29-18-21(25)27-12-28-22(18)32/h5-8,12-14,17,19-20,23,33-34H,4,9-11H2,1-3H3,(H2,25,27,28)(H2,26,30,35)/t17-,19-,20-,23-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

KQTSVJQPAVOUSL-ZDXOVATRSA-N

19 October 2016

InChIKey

1 reference

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

19 October 2016

1 reference

5'-Deoxy-5'-[isopropyl(3-{[(4-methylphenyl)carbamoyl]amino}propyl)amino]adenosine (English)

19 October 2016

1 reference

5'-Deoxy-5'-[(3-{[(4-Methylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]adenosine (English)

19 October 2016

1 reference

0 references

1 reference

4EQZ (English)