GSR
Summary
| Name: | 2'-DEOXY-N2-(R)STYRENE OXIDE GUANOSINE MONOPHOSPHATE |
| Formula: | C18 H22 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 467.37 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-3-hydroxy-5-[2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c3ncn(c3N=C(NC(c1ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c4ccccc4 |
| SMILES | CACTVS | 3.341 | OC[CH](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C18H22N5O8P/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(26)22-18)19-9-23(16)14-6-12(25)13(31-14)8-30-32(27,28)29/h1-5,9,11-14,24-25H,6-8H2,(H2,27,28,29)(H2,20,21,22,26)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | PJRDXCSKOSXVOB-IGQOVBAYSA-N |
