ZD2
Summary
| Name: | (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid |
| Formula: | C9 H11 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 237.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-4-(6-aminopurin-9-yl)-2-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CCn2c1ncnc(c1nc2)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O3/c10-7-6-8(12-3-11-7)14(4-13-6)2-1-5(15)9(16)17/h3-5,15H,1-2H2,(H,16,17)(H2,10,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | NWPWVFAEENVVJM-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CC[C@H](O)C(O)=O)cnc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CC[CH](O)C(O)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1nc(c2c(n1)n(cn2)CCC(C(=O)O)O)N |
