Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CN1C2=C(C(=O)NC1=O)CCC2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | VSGUEKZRMJVQOH-LURJTMIESA-N |