Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C28H38N2O6S/c1-18-29-16-21(37-18)17-36-28(32)22-12-8-9-13-30(22)27(31)25(19-10-6-5-7-11-19)20-14-23(33-2)26(35-4)24(15-20)34-3/h14-16,19,22,25H,5-13,17H2,1-4H3/t22-,25-/m0/s1 |
InChIKey | InChI | 1.06 | SVRWAJARXFNRPM-DHLKQENFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)OCc4sc(C)nc4 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4sc(C)nc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ncc(s1)COC(=O)[C@@H]2CCCCN2C(=O)[C@H](c3cc(c(c(c3)OC)OC)OC)C4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ncc(s1)COC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4 |