Compound ID | 1628

Update compound information

Spectinomicin analog 1951

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@@](CNCC4=CC=C(CC)C=C4)(O)C[C@@H](C)O[C@H]3O2)O)[C@H]1NC
InChI Key: XMKOALFCLQGZIF-SCJXNKDZSA-N
Can. SMILES: CCC1=CC=C(C=C1)CNC[C@@]2(C[C@@H](C)O[C@@H]3[C@@]2(O)O[C@@H]4[C@H]([C@H]([C@H]([C@@H]([C@H]4O3)O)NC)O)NC)O
InChI: InChI=1S/C24H39N3O7/c1-5-14-6-8-15(9-7-14)11-27-12-23(30)10-13(2)32-22-24(23,31)34-20-17(26-4)18(28)16(25-3)19(29)21(20)33-22/h6-9,13,16-22,25-31H,5,10-12H2,1-4H3/t13-,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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