Compound ID | 57

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WR12

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Engineered cationic peptide; active against P. aeruginosa and S. aureus
Institute where first reported: Center for Vaccine Research, Department of Microbiology and Molecular Genetics,b University of Pittsburgh School of Medicine, Pittsburgh, Pennsylvania, USA
Year first mentioned: 2015
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 2072.39
Iso. SMILES: N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC5=CNC6=CC=CC=C56)NC(=O)C(CC7=CNC8=CC=CC=C78)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CNC%10=CC=CC=C9%10)NC(=O)[C@H](CC%11=CNC%12=CC=CC=C%11%12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
InChI Key: OHWTTZNHWJUMDT-OPYPMLNJSA-N
Can. SMILES: C1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)N[C@@H](CC3=CNC4=C3C=CC=C4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CC7=CNC8=C7C=CC=C8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC9=CNC%10=C9C=CC=C%10)C(=O)N[C@@H](CC%11=CNC%12=C%11C=CC=C%12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)N
InChI: InChI=1S/C102H134N36O13/c103-67(25-13-37-116-97(104)105)85(139)133-79(43-55-49-122-68-26-7-1-19-61(55)68)93(147)136-80(44-56-50-123-69-27-8-2-20-62(56)69)92(146)131-77(35-17-41-120-101(112)113)89(143)135-84(48-60-54-127-73-31-12-6-24-66(60)73)95(149)137-81(45-57-51-124-70-28-9-3-21-63(57)70)90(144)129-74(32-14-38-117-98(106)107)86(140)128-76(34-16-40-119-100(110)111)88(142)134-83(47-59-53-126-72-30-11-5-23-65(59)72)94(148)138-82(46-58-52-125-71-29-10-4-22-64(58)71)91(145)130-75(33-15-39-118-99(108)109)87(141)132-78(96(150)151)36-18-42-121-102(114)115/h1-12,19-24,26-31,49-54,67,74-84,122-127H,13-18,25,32-48,103H2,(H,128,140)(H,129,144)(H,130,145)(H,131,146)(H,132,141)(H,133,139)(H,134,142)(H,135,143)(H,136,147)(H,137,149)(H,138,148)(H,150,151)(H4,104,105,116)(H4,106,107,117)(H4,108,109,118)(H4,110,111,119)(H4,112,113,120)(H4,114,115,121)/t67-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84?/m0/s1
External links:
Citations:
  • http://aac.asm.org/content/57/6/2511.full
  • https://journals.asm.org/doi/full/10.1128/aac.02218-12

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