Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)CO)Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)CO)cc1 |
SMILES | CACTVS | 3.370 | CC(C)(C)Oc1ccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)CO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)Oc1ccc(cc1)CC(C(=O)CO)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C31H36N2O6/c1-31(2,3)39-25-16-14-23(15-17-25)18-26(28(35)20-34)32-29(36)27(19-22-10-6-4-7-11-22)33-30(37)38-21-24-12-8-5-9-13-24/h4-17,26-27,34H,18-21H2,1-3H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1 |
InChIKey | InChI | 1.03 | DKORZCNOWZIKDV-SVBPBHIXSA-N |