Compound ID | 2454

Update compound information

Trp-rich dodecapeptide 6

Synonym(s): 3W-2

Class: Antimicrobial peptide

Agent Type: Synthetic; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Membrane-active agent
Target Pathogen: Active against Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Salmonella typhi, Acinetobacter baumannii, and Pseudomonas aeruginosa
Description: Synthetic compound based on PMAP-36; 90% mammalian cell viability at 128 uM vs highest MIC at 8 uM
Institute where first reported: Institute of Animal Nutrition, Northeast Agricultural University, Harbin, Heilongjiang 150030, P. R. China
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1784.17
Iso. SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N)O
InChI Key: WIUKDKPEFWIHAC-CPAYEVTPSA-N
Can. SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)N
InChI: InChI=1S/C85H134N30O13/c1-46(2)38-65(77(124)105-59(70(89)117)26-12-14-32-86)111-73(120)62(29-17-35-99-83(92)93)109-80(127)68(42-51-45-104-58-25-11-8-22-54(51)58)114-75(122)64(31-19-37-101-85(96)97)110-81(128)69(48(5)116)115-76(123)60(27-13-15-33-87)107-79(126)67(41-50-44-103-57-24-10-7-21-53(50)57)113-74(121)63(30-18-36-100-84(94)95)108-78(125)66(39-47(3)4)112-72(119)61(28-16-34-98-82(90)91)106-71(118)55(88)40-49-43-102-56-23-9-6-20-52(49)56/h6-11,20-25,43-48,55,59-69,102-104,116H,12-19,26-42,86-88H2,1-5H3,(H2,89,117)(H,105,124)(H,106,118)(H,107,126)(H,108,125)(H,109,127)(H,110,128)(H,111,120)(H,112,119)(H,113,121)(H,114,122)(H,115,123)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t48-,55+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/155518509
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00288

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