1I1
Summary
| Name: | ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid |
| Formula: | C10 H16 N7 O5 P |
| Formal charge: | 0 |
| Formula weight: | 345.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-oxidanyl-propanoyl]amino]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | HTTMPVFKQATMIS-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCN[C@@H](CO)C(=O)N[P](O)(O)=O)cnc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CCNC(CO)C(=O)NP(=O)(O)O)N |
