Compound ID | 1629

Update compound information

Spectinomicin analog 2241

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: 481.58
Iso. SMILES: O[C@H]1[C@@H](NC)[C@H](O)[C@@H]2[C@H](O[C@]3([C@@](CNCCCC4=CC=CC=C4)(O)C[C@@H](C)O[C@H]3O2)O)[C@H]1NC
InChI Key: CJZVKUPCMAJSSV-BZRSAUPJSA-N
Can. SMILES: C[C@@H]1C[C@@](CNCCCC2=CC=CC=C2)([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/C24H39N3O7/c1-14-12-23(30,13-27-11-7-10-15-8-5-4-6-9-15)24(31)22(32-14)33-21-19(29)16(25-2)18(28)17(26-3)20(21)34-24/h4-6,8-9,14,16-22,25-31H,7,10-13H2,1-3H3/t14-,16-,17+,18+,19+,20-,21-,22+,23-,24-/m1/s1
External links:
Citation: https://www.nature.com/articles/s41429-019-0194-8

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