Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCc1ccccc1)C(c2ccccc2)NC(=O)N(C)Cc3ccc4OCOc4c3C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C26H25N3O6/c1-29(15-19-12-13-20-23(35-16-34-20)21(19)25(31)32)26(33)28-22(18-10-6-3-7-11-18)24(30)27-14-17-8-4-2-5-9-17/h2-13,22H,14-16H2,1H3,(H,27,30)(H,28,33)(H,31,32)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | HIXYFFRMRKDFAZ-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc2OCOc2c1C(O)=O)C(=O)N[C@H](C(=O)NCc3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | CN(Cc1ccc2OCOc2c1C(O)=O)C(=O)N[CH](C(=O)NCc3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)NC(c3ccccc3)C(=O)NCc4ccccc4 |