| PDB CCD ID: | A1EQF |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C16 H22 Mn N4 O9 |
| InChI: | InChI=1S/C16H25N4O9.Mn/c21-11(17-3-4-20-12(22)1-2-13(20)23)7-18(8-14(24)25)5-6-19(9-15(26)27)10-16(28)29;/h11,17H,1-10H2,(H,24,25)(H,26,27)(H,28,29);/q-1;+4/p-3/t11-;/m0./s1 |
| InChIKey: | MONZMKOQRHPWJD-MERQFXBCSA-K |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1C[N@]2CCN3CC(=O)O[Mn](O[C@@H](C2)NCCN4C(=O)CCC4=O)(O1)OC(=O)C3 | | OpenEye OEToolkits 2.0.7 | C1CC(=O)N(C1=O)CCNC2CN3CCN4CC(=O)O[Mn](O2)(OC(=O)C3)OC(=O)C4 | | OpenEye OEToolkits 2.0.7 | C1CC(=O)N(C1=O)CCN[C@@H]2C[N@@]3CCN4CC(=O)O[Mn](O2)(OC(=O)C3)OC(=O)C4 | | CACTVS 3.385 | O=C1C[N]2CCN3CC(=O)O[Mn](O[CH](C2)NCCN4C(=O)CCC4=O)(O1)OC(=O)C3 |
|
| Name: | (5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione |
