Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(O)c2c1ccccc1nc2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]([C@@H](O)c1c[nH]c2ccccc12)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C(C(C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | ITFHGBKXKUVKBW-UWVGGRQHSA-N |