Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(\\C=C\\c1ccccc1)NC(C(=O)NC(Cc2ccccc2)CO)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C27H28N2O3/c30-20-24(18-22-12-6-2-7-13-22)28-27(32)25(19-23-14-8-3-9-15-23)29-26(31)17-16-21-10-4-1-5-11-21/h1-17,24-25,30H,18-20H2,(H,28,32)(H,29,31)/b17-16+/t24-,25-/m0/s1 |
InChIKey | InChI | 1.03 | GEVQDXBVGFGWFA-KQRRRSJSSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 |
SMILES | CACTVS | 3.370 | OC[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(CO)NC(=O)C(Cc2ccccc2)NC(=O)C=Cc3ccccc3 |