Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1cc(OC)ccc1 |
InChI | InChI | 1.06 | InChI=1S/C29H26N2O6/c1-36-20-10-7-11-21(18-20)37-26-15-5-4-14-24(26)30-29(35)25(16-17-27(32)33)31-28(34)23-13-6-9-19-8-2-3-12-22(19)23/h2-15,18,25H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1 |
InChIKey | InChI | 1.06 | VIOMNVLHIQNNOJ-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Oc2ccccc2NC(=O)[C@H](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(Oc2ccccc2NC(=O)[CH](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Oc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c3cccc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=O)c3cccc4c3cccc4 |