Compound ID | 238
Class: Cell-wall synthesis inhibitor (lipid II inhibitor)
Spectrum of activity: | Gram-positive |
Details of activity: | Staphylococcus aureus |
Propensity to select resistant mutants: | Yes |
Description: | Natural compound |
Institute where first reported: | Novobiotic pharmaceuticals, USA (northeastern) |
Year first mentioned: | 2015 |
Highest developmental phase: | Preclinical |
Development status: | Active |
Chemical structure(s): | |
Canonical SMILES: | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H](C)OC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C[C@H]2CN=C(N)N2)NC(=O)[C@H](C)NC1=O)NC(=O)[C@@H](CC3=CC=CC=C3)NC |
Isomeric SMILES: | CC[C@H](C)[C@H]1C(=O)O[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C[C@H]2CN=C(N2)N)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC3=CC=CC=C3)NC)C |
InChI: | InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1 |
InChI Key: | LMBFAGIMSUYTBN-MPZNNTNKSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/86341926 |
External links: | |
Guide to Pharmacology: | teixobactin |
Citations: |
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