Molecule ID: 136662819

IUPAC Name: N-(8-aminooctyl)-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyphosphonamidic acid

Description: The molecule is a nucleoside triphosphate analogue that is GTP in which one of the OH groups at the gamma-position of the triphosphate is replaced by an 8-aminooctylamino group. It is a nucleoside triphosphate analogue and a GTP.

SMILES: N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCCCCCCCN)[C@@H](O)[C@H]3O)c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][N][Branch2][Branch1][Ring1][C@@H1][O][C@H1][Branch2][Ring2][Ring2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][N][C][C][C][C][C][C][C][C][N][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C][=Ring2][Ring2][Ring1][NH1][Ring2][Ring2][Branch2]

InChI: InChI=1S/C18H34N7O13P3/c19-7-5-3-1-2-4-6-8-22-39(29,30)37-41(33,34)38-40(31,32)35-9-11-13(26)14(27)17(36-11)25-10-21-12-15(25)23-18(20)24-16(12)28/h10-11,13-14,17,26-27H,1-9,19H2,(H,31,32)(H,33,34)(H2,22,29,30)(H3,20,23,24,28)/t11-,13-,14-,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 313.0 Ų
- LogP: -6.2