Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(C)(C)C)C(c1ccccc1)NC(=O)N(C)Cc2ccc3OCOc3c2C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C23H27N3O6/c1-23(2,3)25-20(27)18(14-8-6-5-7-9-14)24-22(30)26(4)12-15-10-11-16-19(32-13-31-16)17(15)21(28)29/h5-11,18H,12-13H2,1-4H3,(H,24,30)(H,25,27)(H,28,29)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | MTAQSNRDDITUHH-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc2OCOc2c1C(O)=O)C(=O)N[C@@H](C(=O)NC(C)(C)C)c3ccccc3 |
SMILES | CACTVS | 3.385 | CN(Cc1ccc2OCOc2c1C(O)=O)C(=O)N[CH](C(=O)NC(C)(C)C)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)NC(=O)C(c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 |