Compound ID | 3532

Update compound information

Ceftazidime-hexa-arginine conjugate (CTZ-R6)

Class: Beta-lactam

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Enterococcus faecalis, Escherichia coli, and Klebsiella pneumoniae; cell wall synthesis inhibitor
Description: Semi-synthetic compound; beta-lactam conjugated to cationic peptide to extend spectrum of activity
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1781.13
Iso. SMILES: NC1=NC(/C(C(N[C@H]2C(N3[C@@H]2SCC(C[N+]4=CC=CC=C4)=C3C(O)=O)=O)=O)=N/OC(C)(C(NCCCCCCN5C(CC(SC[C@H]([C@H](CCCNC(N)=N)C(CNC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](CCCNC(N)=C)N)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)=O)C(N)=O)C5=O)=O)=O)C)=CS1
InChI Key: SZLAGTYZHXYAPD-OZPFNUCUSA-O
Can. SMILES: C=C(N)NCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)[C@@H](CCCNC(=N)N)[C@@H](CSC1CC(=O)N(CCCCCCNC(=O)C(C)(C)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3C(=O)N4C(=C(C[N+]5=CC=CC=C5)CS[C@H]34)C(=O)O)C1=O)C(=O)N)N
InChI: InChI=1S/C73H118N32O15S3/c1-39(74)88-24-12-18-43(75)56(109)96-45(20-14-27-92-69(81)82)58(111)98-47(22-16-29-94-71(85)86)60(113)99-46(21-15-28-93-70(83)84)59(112)97-44(19-13-26-91-68(79)80)57(110)95-34-49(106)41(17-11-25-90-67(77)78)42(55(76)108)37-121-50-33-51(107)104(62(50)115)32-10-5-4-7-23-89-66(119)73(2,3)120-102-52(48-38-123-72(87)100-48)61(114)101-53-63(116)105-54(65(117)118)40(36-122-64(53)105)35-103-30-8-6-9-31-103/h6,8-9,30-31,38,41-47,50,53,64,88H,1,4-5,7,10-29,32-37,74-75H2,2-3H3,(H31-,76,77,78,79,80,81,82,83,84,85,86,87,89,90,91,92,93,94,95,96,97,98,99,100,101,108,109,110,111,112,113,114,117,118,119)/p+1/b102-52-/t41-,42+,43-,44-,45-,46-,47+,50?,53-,64+/m0/s1
External links:
Citations:
  • https://pmc.ncbi.nlm.nih.gov/articles/PMC11672299/
  • https://amr-conference.com/wp-content/uploads/2025/01/Uhl.pdf

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