Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O |
InChI | InChI | 1.03 | InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1 |
InChIKey | InChI | 1.03 | VRGRCASITUVCPS-IUCAKERBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN(CC(=O)N(CC(O)=O)[C@H]2COC[C@@H]2N)C(=O)NC1=O |
SMILES | CACTVS | 3.385 | CC1=CN(CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2COC[C@@H]2N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)C2COCC2N |