Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1 |
InChI | InChI | 1.06 | InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1 |
InChIKey | InChI | 1.06 | IBQRWMDLUKSOJL-HKBQPEDESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H](Cc1ccc(C)c(OC)c1)NC(=O)CSc2ccc3ccccc3c2c4cncc(OCc5ccccc5)c4 |
SMILES | CACTVS | 3.385 | CNC(=O)[CH](Cc1ccc(C)c(OC)c1)NC(=O)CSc2ccc3ccccc3c2c4cncc(OCc5ccccc5)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1OC)C[C@@H](C(=O)NC)NC(=O)CSc2ccc3ccccc3c2c4cc(cnc4)OCc5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1OC)CC(C(=O)NC)NC(=O)CSc2ccc3ccccc3c2c4cc(cnc4)OCc5ccccc5 |