For research use only. Not for therapeutic Use.
Histatin-3 TFA (Cat No.:I041116) is a synthetic antimicrobial peptide derived from human saliva, known for its potent activity against a wide range of pathogens, including bacteria and fungi. It is involved in wound healing and immune defense, playing a crucial role in oral health. Histatin-3 TFA has been studied for its ability to inhibit microbial growth by disrupting the integrity of microbial cell membranes and preventing their adhesion. Research continues to explore its potential applications in developing novel antimicrobial treatments, particularly in oral care products, wound healing, and infection control.
| CAS Number | 112844-49-2 |
| Molecular Formula | C178H258N64O48.xC2HF3O2 |
| Purity | ≥95% |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C178H258N64O48/c1-91(2)55-119(158(273)228-124(60-97-35-43-108(249)44-36-97)163(278)238-133(71-144(258)259)170(285)239-134(174(289)290)70-139(185)251)226-161(276)123(59-96-33-41-107(248)42-34-96)229-169(284)132(69-138(184)250)237-173(288)136(82-244)241-155(270)117(28-18-54-204-178(192)193)224-160(275)121(58-95-31-39-106(247)40-32-95)215-140(252)79-205-147(262)110(25-15-51-201-175(186)187)218-164(279)128(64-101-75-197-87-210-101)236-172(287)137(83-245)242-168(283)131(67-104-78-200-90-213-104)234-167(282)130(66-103-77-199-89-212-103)231-153(268)114(24-10-14-50-182)220-156(271)118(45-46-142(254)255)225-165(280)127(63-100-74-196-86-209-100)233-162(277)122(56-93-19-5-4-6-20-93)227-152(267)113(23-9-13-49-181)219-151(266)115(26-16-52-202-176(188)189)221-150(265)112(22-8-12-48-180)223-159(274)120(57-94-29-37-105(246)38-30-94)216-141(253)80-206-148(263)125(61-98-72-194-84-207-98)230-166(281)129(65-102-76-198-88-211-102)232-154(269)116(27-17-53-203-177(190)191)222-149(264)111(21-7-11-47-179)217-145(260)92(3)214-157(272)126(62-99-73-195-85-208-99)235-171(286)135(81-243)240-146(261)109(183)68-143(256)257/h4-6,19-20,29-44,72-78,84-92,109-137,243-249H,7-18,21-28,45-71,79-83,179-183H2,1-3H3,(H2,184,250)(H2,185,251)(H,194,207)(H,195,208)(H,196,209)(H,197,210)(H,198,211)(H,199,212)(H,200,213)(H,205,262)(H,206,263)(H,214,272)(H,215,252)(H,216,253)(H,217,260)(H,218,279)(H,219,266)(H,220,271)(H,221,265)(H,222,264)(H,223,274)(H,224,275)(H,225,280)(H,226,276)(H,227,267)(H,228,273)(H,229,284)(H,230,281)(H,231,268)(H,232,269)(H,233,277)(H,234,282)(H,235,286)(H,236,287)(H,237,288)(H,238,278)(H,239,285)(H,240,261)(H,241,270)(H,242,283)(H,254,255)(H,256,257)(H,258,259)(H,289,290)(H4,186,187,201)(H4,188,189,202)(H4,190,191,203)(H4,192,193,204)/t92-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-/m0/s1 |
| InChIKey | MGLKKQHURMLFDS-ZMASWNFJSA-N |
| SMILES | C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CNC=N7)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC8=CNC=N8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N |
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