Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC/C=N/C(=[N@H])NOC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C10H20N4O3/c1-10(2,3)17-14-9(12)13-6-4-5-7(11)8(15)16/h6-7H,4-5,11H2,1-3H3,(H2,12,14)(H,15,16)/b13-6+/t7-/m0/s1 |
InChIKey | InChI | 1.03 | TUOBZAXIKVQKKU-PQHBYJLHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)ONC(=N)N=CCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)(C)ONC(=N)N=CCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)ONC(=N)N=CCCC(C(=O)O)N |