Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1 |
InChIKey | InChI | 1.03 | ODFKEYSAXUKLCN-RNSXUZJQSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H]([C@@H](O)[C@]1(O)C(=O)Nc2ccccc12)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH]([CH](O)[C]1(O)C(=O)Nc2ccccc12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(C(=O)N2)(C(C(C(=O)O)N)O)O |