Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1 |
InChIKey | InChI | 1.03 | JCVMLVYNFGCSKG-MYGLTJDJSA-N |
SMILES | ACDLabs | 12.01 | O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@@H](O)CO |
SMILES | CACTVS | 3.370 | CC(C)(C)[CH]1CC[CH](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[CH]3[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C1CCC(N1C(=O)CCCc2ccccc2)C(=O)N3CCCC3C(CO)O |