Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc2ccc(c1ccc(C(=O)NC(C(=O)NO)C(O)C)cc1)cc2 |
InChI | InChI | 1.03 | InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1 |
InChIKey | InChI | 1.03 | OEJYZUMESQZYFQ-BMIGLBTASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)c2ccc(Br)cc2)C(=O)NO |
SMILES | CACTVS | 3.370 | C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccc(Br)cc2)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O |