Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccc(cc1)C(O)OC)COc3ccccc3)COc4ccccc4)Cc5ccc(cc5)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H](O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc4ccccc4)N(Cc5ccc(CO)cc5)[S]2(=O)=O)cc1 |
SMILES | CACTVS | 3.341 | CO[CH](O)c1ccc(CN2[CH](COc3ccccc3)[CH](O)[CH](O)[CH](COc4ccccc4)N(Cc5ccc(CO)cc5)[S]2(=O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC(c1ccc(cc1)CN2C(C(C(C(N(S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O |
InChI | InChI | 1.03 | InChI=1S/C35H40N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-35,38-41H,20-24H2,1H3/t31-,32-,33+,34+,35+/m1/s1 |
InChIKey | InChI | 1.03 | XLJNZONSWKENRP-VABIIVNOSA-N |