A1KOY
Summary
| Name: | (2~{S})-4-[[(2~{S},6~{R})-6-(6-aminopurin-9-yl)morpholin-2-yl]methylsulfanyl]-2-azanyl-butanoic acid |
| Formula: | C14 H21 N7 O3 S |
| Formal charge: | 0 |
| Formula weight: | 367.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-[[(2~{S},6~{R})-6-(6-aminopurin-9-yl)morpholin-2-yl]methylsulfanyl]-2-azanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H21N7O3S/c15-9(14(22)23)1-2-25-5-8-3-17-4-10(24-8)21-7-20-11-12(16)18-6-19-13(11)21/h6-10,17H,1-5,15H2,(H,22,23)(H2,16,18,19)/t8-,9-,10+/m0/s1 |
| InChIKey | InChI | 1.06 | FUXHZNXZXBEXJI-LPEHRKFASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCSC[C@@H]1CNC[C@@H](O1)n2cnc3c(N)ncnc23)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCSC[CH]1CNC[CH](O1)n2cnc3c(N)ncnc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)CSCC[C@@H](C(=O)O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)C3CNCC(O3)CSCCC(C(=O)O)N)N |
