Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2 |
InChI | InChI | 1.03 | InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | HZLAWYIBLZNRFZ-VXGBXAGGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N2CCC[C@@H]2C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN1C(=O)CCCCC(=O)N2CCC[CH]2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C(=O)O |