Compound ID | 1067

Update compound information

CI-867

Class: Beta-lactam

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Cell wall synthesis inhibitor
Target Pathogen: Active against most Gram-positive and -negative organisms (especially Pseudomonas) but not penicillin-resistant Staphylococcus aureus
Propensity to select resistant mutants: Yes
Year first mentioned: 1979
Development status: Experimental
Reason dropped: Spectrum and potency means it is unlikely to be used as a single therapeutic
Chemical structure(s):
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Molecular weight: 751.76
Iso. SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C4=CC=C(NC4=O)C5=CC=C(C=C5)S(=O)(=O)N(CCO)CCO)C(=O)[O-])C.[Na+]
InChI Key: CHEUORCVUSORLI-BQZVOSRDSA-M
Can. SMILES: CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@H]([C@H]2S1)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C4=CC=C(C5=CC=C(C=C5)S(=O)(=O)N(CCO)CCO)NC4=O.[Na+]
InChI: InChI=1S/C32H35N5O11S2.Na/c1-32(2)25(31(45)46)37-29(44)24(30(37)49-32)35-28(43)23(18-3-7-19(40)8-4-18)34-27(42)21-11-12-22(33-26(21)41)17-5-9-20(10-6-17)50(47,48)36(13-15-38)14-16-39;/h3-12,23-25,30,38-40H,13-16H2,1-2H3,(H,33,41)(H,34,42)(H,35,43)(H,45,46);/q;+1/p-1/t23-,24-,25+,30-;/m1./s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/23677989
Citation: https://doi.org/10.7164/antibiotics.32.621

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