Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)COc1noc(c1CC(C(=O)O)N)C(C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1onc(OC[P](O)(O)=O)c1C[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)(C)c1onc(OC[P](O)(O)=O)c1C[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1c(c(no1)OCP(=O)(O)O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | AGSOOCUNMTYPSE-ZETCQYMHSA-N |