Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O |
InChI | InChI | 1.03 | InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2 |
InChIKey | InChI | 1.03 | PBXBULWQEKJFOX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(CCCN2CCOCC2)C(=O)c3c(NCCCN4CCOCC4)cc5C(=O)N(CCCN6CCOCC6)C(=O)c7c(NCCCN8CCOCC8)cc1c3c57 |
SMILES | CACTVS | 3.385 | O=C1N(CCCN2CCOCC2)C(=O)c3c(NCCCN4CCOCC4)cc5C(=O)N(CCCN6CCOCC6)C(=O)c7c(NCCCN8CCOCC8)cc1c3c57 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8 |