Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1 |
InChIKey | InChI | 1.03 | FGRTVYZNNRCSAS-KBPBESRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |
SMILES | CACTVS | 3.385 | CCOC(=O)C[CH](O)C(=O)N[CH](CC(C)C)C(=O)NCCC(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CC(C(=O)NC(CC(C)C)C(=O)NCCC(C)C)O |