Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC2(O)c1ccccc1NC2=O |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](C[C@@]1(O)C(=O)Nc2ccccc12)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1 |
InChIKey | InChI | 1.03 | BZRCOYDQHJWPQZ-CPCISQLKSA-N |