Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(n(c[nH+]1)P(=O)(O)O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1 |
InChIKey | InChI | 1.03 | VOHVXLVXSYAFOA-YFKPBYRVSA-O |