Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NCC(=O)NO)CC(C)C)C1NCCC1 |
InChI | InChI | 1.03 | InChI=1S/C13H24N4O4/c1-8(2)6-10(12(19)15-7-11(18)17-21)16-13(20)9-4-3-5-14-9/h8-10,14,21H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18) |
InChIKey | InChI | 1.03 | WFURCOXZZPMXOC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)NO |
SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH]1CCCN1)C(=O)NCC(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)NCC(=O)NO)NC(=O)[C@@H]1CCCN1 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NCC(=O)NO)NC(=O)C1CCCN1 |