Compound ID | 2442

Update compound information

StRRL

Class: Antimicrobial peptide

Spectrum of activity: Gram-negative
Details of activity: Active against Escherichia coli and Salmonella typhimurium; membrane-active agent
Description: Synthetic compound
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 962.24
Iso. SMILES: CC(C)C[C@H]1C(=O)N[C@](CCC/C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)(C)NC(=O)[C@H](CC(C)C)N)(C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
InChI Key: SIILLMXREDVSHV-FZZYQYNRSA-N
Can. SMILES: CC(C)C[C@@H](C(=O)N[C@@]1(C)CCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC1=O)N
InChI: InChI=1S/C44H83N17O7/c1-26(2)24-28(45)34(63)60-43(5)19-11-9-7-8-10-12-20-44(6,38(67)58-29(33(46)62)16-13-21-53-40(47)48)61-37(66)32(25-27(3)4)57-35(64)30(17-14-22-54-41(49)50)56-36(65)31(59-39(43)68)18-15-23-55-42(51)52/h7-8,26-32H,9-25,45H2,1-6H3,(H2,46,62)(H,56,65)(H,57,64)(H,58,67)(H,59,68)(H,60,63)(H,61,66)(H4,47,48,53)(H4,49,50,54)(H4,51,52,55)/b8-7-/t28-,29-,30-,31-,32-,43-,44-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/171378716
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c00856

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