Compound ID | 1063
Synonym(s): X-14547A
Class: Ionophore
Spectrum of activity: | Gram-negative |
Details of activity: | Activity againt gram +, including MRSA |
Institute where first reported: | Hoffman-La Roche Inc |
Year first mentioned: | 1978 |
Development status: | Active |
Reason Dropped: | No clinical activity, however some recent work on optimisation of the antibiotic backbone |
Chemical structure(s): | |
Canonical SMILES: | CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@@H](/C=C/C=C(\CC)/[C@H]3[C@@H](C)CC[C@H]([C@@H](C)C(=O)O)O3)[C@H]2C(=O)C4=CC=CN4 |
Isomeric SMILES: | CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@H]([C@H]2C(=O)C3=CC=CN3)/C=C/C=C(\CC)/[C@H]4[C@H](CC[C@@H](O4)[C@@H](C)C(=O)O)C |
InChI: | InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23+,24+,25+,27+,28+,30+/m0/s1 |
InChI Key: | BAIPOTOKPGDCHA-MWBHXQFBSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/10345604 |
External links: | |
Guide to Pharmacology: | indanomycin |
Citation: | http://pubs.acs.org/doi/abs/10.1021/jo00193a014 |