Compound ID | 985
Class: Sideromycin
Spectrum of activity: | Gram-positive & Gram-negative |
Details of activity: | Trojan horse antibiotic, with activity towards ferrioxamine B |
Year first mentioned: | 1960 |
Highest developmental phase: | Preclinical |
Development status: | Inactive |
Chemical structure(s): | |
Canonical SMILES: | CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C1=CC(=CC(=C1)NC2(C)C(CO)(C(C(C(=N)OC)C(=O)N2)N)O)O)[O-])[O-])[O-].[Fe+3] |
Isomeric SMILES: | CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C1=CC(=CC(=C1)O)NC2(C(C(C(C(=O)N2)C(=N)OC)N)(CO)O)C)[O-])[O-])[O-].[Fe+3] |
InChI: | InChI=1S/C41H65N10O14.Fe/c1-27(53)49(62)20-10-4-7-17-44-31(55)13-15-33(57)50(63)21-11-5-8-18-45-32(56)14-16-34(58)51(64)22-12-6-9-19-46-38(59)28-23-29(25-30(54)24-28)47-40(2)41(61,26-52)36(42)35(37(43)65-3)39(60)48-40;/h23-25,35-36,43,47,52,54,61H,4-22,26,42H2,1-3H3,(H,44,55)(H,45,56)(H,46,59)(H,48,60);/q-3;+3 |
InChI Key: | NQVNPJGERCVAPV-UHFFFAOYSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/161123 |