Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1OC(C)(C)CC12CCCN(C2)C5CCN(C(=O)c3c4ccccc4sc3NC(=O)NCC)CC5 |
InChI | InChI | 1.03 | InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1 |
InChIKey | InChI | 1.03 | DSUNZEZCXUMUEH-MHZLTWQESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCNC(=O)Nc1sc2ccccc2c1C(=O)N3CCC(CC3)N4CCC[C@@]5(C4)CC(C)(C)OC5=O |
SMILES | CACTVS | 3.370 | CCNC(=O)Nc1sc2ccccc2c1C(=O)N3CCC(CC3)N4CCC[C]5(C4)CC(C)(C)OC5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)N4CCCC5(C4)CC(OC5=O)(C)C |