Compound ID | 1627

Update compound information

Spectinomicin analog 1950

Class: Aminocyclitol

Spectrum of activity: Gram-negative
Details of activity: B. mallei, Brucella species and Y. pestis
Institute where first reported: United State Army Medical Research Institute of Infectious Diseases, Fort Detrick, USA
Year first mentioned: 2019
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 471.52
Iso. SMILES: O[C@H]1[C@@H](NC)[C@H](O)[C@@H]2[C@H](O[C@]3([C@@](CNCC4=CC=C(F)C=C4)(O)C[C@@H](C)O[C@H]3O2)O)[C@H]1NC
InChI Key: XCLCDNAVWHNZSQ-KELPCCTFSA-N
Can. SMILES: C[C@@H]1C[C@@](CNCC2=CC=C(C=C2)F)([C@]3([C@@H](O1)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H]([C@H]4O3)NC)O)NC)O)O)O
InChI: InChI=1S/C22H34FN3O7/c1-11-8-21(29,10-26-9-12-4-6-13(23)7-5-12)22(30)20(31-11)32-19-17(28)14(24-2)16(27)15(25-3)18(19)33-22/h4-7,11,14-20,24-30H,8-10H2,1-3H3/t11-,14-,15+,16+,17+,18-,19-,20+,21-,22-/m1/s1
External links:
Citation: https://www.nature.com/articles/s41429-019-0194-8

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