GK8
Summary
| Name: | {[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl |
| Formula: | C6 H13 As N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{(2S)-2-amino-3-[(trihydroxy-lambda~5~-arsanyl)oxy]propyl}-1H-imidazole |
| OpenEye OEToolkits | 1.7.6 | [(2S)-2-azanyl-3-(1H-imidazol-5-yl)propoxy]-tris(oxidanyl)arsenic |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(nc1)CC(N)CO[As](O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14AsN3O4/c8-5(3-14-7(11,12)13)1-6-2-9-4-10-6/h2,4-5,7,11-13H,1,3,8H2,(H,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | ULOXOLOOGPGSSX-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CO[As](O)(O)O)Cc1[nH]cnc1 |
| SMILES | CACTVS | 3.370 | N[CH](CO[As](O)(O)O)Cc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c([nH]cn1)CC(CO[As](O)(O)O)N |
