Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCC(OCCOCCCC(CC)O)=O)CC1C2C(CS1)NC(N2)=O |
InChI | InChI | 1.03 | InChI=1S/C18H32N2O5S/c1-2-13(21)6-5-9-24-10-11-25-16(22)8-4-3-7-15-17-14(12-26-15)19-18(23)20-17/h13-15,17,21H,2-12H2,1H3,(H2,19,20,23)/t13-,14+,15+,17+/m1/s1 |
InChIKey | InChI | 1.03 | XPLYDBRQTYFSEO-AESZEHBQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](O)CCCOCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
SMILES | CACTVS | 3.385 | CC[CH](O)CCCOCCOC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CCCOCCOC(=O)CCCCC1C2C(CS1)NC(=O)N2)O |