Compound ID | 2470

Update compound information

Mastoparan-R1

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Pseudomonas aeruginosa, Escherichia coli, and Staphylococcus aureus
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: 1565.99
Iso. SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N
InChI Key: OIHKDOHBLPQZIJ-RFPKPKPFSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N)N
InChI: InChI=1S/C76H132N20O15/c1-14-44(10)62(81)75(110)93-58(37-59(80)97)74(109)92-57(36-48-38-83-50-26-18-17-25-49(48)50)73(108)91-56(35-43(8)9)72(107)89-52(28-20-23-31-78)70(105)90-54(33-41(4)5)67(102)85-40-61(99)87-51(27-19-22-30-77)69(104)88-53(29-21-24-32-79)71(106)96-64(46(12)16-3)76(111)94-55(34-42(6)7)68(103)84-39-60(98)86-47(13)66(101)95-63(65(82)100)45(11)15-2/h17-18,25-26,38,41-47,51-58,62-64,83H,14-16,19-24,27-37,39-40,77-79,81H2,1-13H3,(H2,80,97)(H2,82,100)(H,84,103)(H,85,102)(H,86,98)(H,87,99)(H,88,104)(H,89,107)(H,90,105)(H,91,108)(H,92,109)(H,93,110)(H,94,111)(H,95,101)(H,96,106)/t44-,45-,46-,47-,51-,52-,53-,54-,55-,56-,57-,58-,62-,63-,64-/m0/s1
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00915

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