Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56 |
InChI | InChI | 1.03 | InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1 |
InChIKey | InChI | 1.03 | HDYYKIHPDVFOOZ-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2C[C@@H](Oc2c(c1)c3ccnc4cc(CN5C(=O)CCC5=O)sc34)C(=O)N6CCNCC6 |
SMILES | CACTVS | 3.385 | Clc1cc2C[CH](Oc2c(c1)c3ccnc4cc(CN5C(=O)CCC5=O)sc34)C(=O)N6CCNCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc2cc(sc2c1c3cc(cc4c3OC(C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O |