Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cc1ccccc1cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5c4ccccc4ccc5)P(=O)(O)O)C)CC7 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7ccccc67)[P](O)(O)=O |
SMILES | CACTVS | 3.341 | CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[CH](c6cccc7ccccc67)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)C(c6cccc7c6cccc7)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1 |
InChIKey | InChI | 1.03 | XUJQPDQURBZEGJ-KXQOOQHDSA-N |