Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O |
SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | B(C(CC(C)C)NC(=O)C(Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O |
InChI | InChI | 1.03 | InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1 |
InChIKey | InChI | 1.03 | MQMHIOPMTAJOHV-RTWAWAEBSA-N |