Compound ID | 2471

Update compound information

Mastoparan-R4

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Pseudomonas aeruginosa, Escherichia coli, and Staphylococcus aureus; membrane-active agent
Description: Synthetic compound; not cytotoxic to mammalian cell lines at 100 uM (highest tested) vs MIC at 4 uM
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1637.11
Iso. SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC
InChI Key: FLSROGGLMWMZCX-UTSPAFJPSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N
InChI: InChI=1S/C76H145N23O16/c1-13-44(8)59(83)73(112)97-57(41-58(82)100)72(111)96-56(40-43(6)7)71(110)93-50(28-17-22-34-78)65(104)91-51(29-18-23-35-79)67(106)95-55(39-42(4)5)70(109)88-47(11)62(101)87-48(12)63(102)89-54(32-26-38-86-76(84)85)68(107)98-60(45(9)14-2)74(113)94-52(30-19-24-36-80)66(105)90-49(27-16-21-33-77)64(103)92-53(31-20-25-37-81)69(108)99-61(75(114)115)46(10)15-3/h42-57,59-61H,13-41,77-81,83H2,1-12H3,(H2,82,100)(H,87,101)(H,88,109)(H,89,102)(H,90,105)(H,91,104)(H,92,103)(H,93,110)(H,94,113)(H,95,106)(H,96,111)(H,97,112)(H,98,107)(H,99,108)(H,114,115)(H4,84,85,86)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00915

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