Compound ID | 1625

Update compound information

Spectinamide

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: 486.95
Iso. SMILES: C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)NC(=O)CC4=NC=C(C=C4)Cl
InChI Key: WFWJNRAXDUDHKA-CYWJWNLKSA-N
Can. SMILES: C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)NC(=O)CC4=CC=C(C=N4)Cl
InChI: InChI=1S/C21H31ClN4O7/c1-9-6-12(26-13(27)7-11-5-4-10(22)8-25-11)21(30)20(31-9)32-19-17(29)14(23-2)16(28)15(24-3)18(19)33-21/h4-5,8-9,12,14-20,23-24,28-30H,6-7H2,1-3H3,(H,26,27)/t9-,12-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/60173108
Citation: https://www.nature.com/articles/s41429-019-0194-8

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