Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1c(C(NC(C(NC(CC(C)C)B(O)O)=O)CC(C)C)=O)ccc(OC)c1 |
InChI | InChI | 1.03 | InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.03 | IUZAVACFOSUDSF-IRXDYDNUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)c(Cl)c1 |
SMILES | CACTVS | 3.385 | COc1ccc(C(=O)N[CH](CC(C)C)C(=O)N[CH](CC(C)C)B(O)O)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B(C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O |