Compound ID | 2399

Update compound information

YU253434

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Cell wall synthesis inhibitor. Targets penicillin binding protein (PBP3)
Target Pathogen: Active against Pseudomonas aeruginosa, Klebsiella pneumoniae, and Escherichia coli
Description: Synthetic compound; a gamma-lactam (pyrazolidinone) antibiotic
Year first mentioned: 2020
Development status: Experimental
Chemical structure(s):
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Molecular weight: 688.62
Iso. SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)C4=CC(=C(C=C4C3=O)O)O)C=O
InChI Key: AUDGPVZSFLGMAE-ZJIUGIBFSA-N
Can. SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@@H](CN2CC(=C(C(=O)O)N2)C(=O)NCCN3C(=O)C4=C(C=C(C(=C4)O)O)C3=O)C=O
InChI: InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/146035929
Citations:
  • https://pubs.acs.org/doi/10.1021/jm500219c
  • https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c00255

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