Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCCC)C(c1ccccc1)NC(=O)N(C)Cc2ccc3OCOc3c2C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C23H27N3O6/c1-3-4-12-24-21(27)19(15-8-6-5-7-9-15)25-23(30)26(2)13-16-10-11-17-20(32-14-31-17)18(16)22(28)29/h5-11,19H,3-4,12-14H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | LNHFUNPGWROCBL-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)[C@@H](NC(=O)N(C)Cc1ccc2OCOc2c1C(O)=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | CCCCNC(=O)[CH](NC(=O)N(C)Cc1ccc2OCOc2c1C(O)=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCNC(=O)C(c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 |