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AG008XBB

115966-68-2 | Histatin 5

Chemical structure of Histatin 5, CAS 115966-68-2
AG008XBB
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sdsCOA

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CAS Number 115966-68-2
Catalog Number AG008XBB(AGN-PC-0P8DXI)
Chemical Name Histatin 5
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)-5-carbamimidamido-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-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/C133H195N51O33/c1-71(164-120(206)96(46-76-54-146-65-158-76)181-128(214)103(62-185)183-110(196)84(138)52-108(193)194)109(195)167-86(18-5-9-35-134)113(199)172-91(24-15-41-154-133(143)144)118(204)178-99(49-79-57-149-68-161-79)125(211)176-95(45-75-53-145-64-157-75)112(198)156-60-105(189)165-93(43-73-25-29-82(187)30-26-73)121(207)173-87(19-6-10-36-135)114(200)171-90(23-14-40-153-132(141)142)115(201)169-88(20-7-11-37-136)116(202)175-94(42-72-16-3-2-4-17-72)122(208)179-97(47-77-55-147-66-159-77)124(210)174-92(33-34-107(191)192)119(205)170-89(21-8-12-38-137)117(203)177-100(50-80-58-150-69-162-80)126(212)180-101(51-81-59-151-70-163-81)127(213)184-104(63-186)129(215)182-98(48-78-56-148-67-160-78)123(209)168-85(22-13-39-152-131(139)140)111(197)155-61-106(190)166-102(130(216)217)44-74-27-31-83(188)32-28-74/h2-4,16-17,25-32,53-59,64-71,84-104,185-188H,5-15,18-24,33-52,60-63,134-138H2,1H3,(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,161)(H,150,162)(H,151,163)(H,155,197)(H,156,198)(H,164,206)(H,165,189)(H,166,190)(H,167,195)(H,168,209)(H,169,201)(H,170,205)(H,171,200)(H,172,199)(H,173,207)(H,174,210)(H,175,202)(H,176,211)(H,177,203)(H,178,204)(H,179,208)(H,180,212)(H,181,214)(H,182,215)(H,183,196)(H,184,213)(H,191,192)(H,193,194)(H,216,217)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)/t71-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1
InChI Key KSXBMTJGDUPBBN-VPKNIDFUSA-N
Molecular Formula C133H195N51O33
Molecular Weight 3036.2933
SMILES [C@@H](CC1=CN=CN1)(NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC3=CC=C(O)C=C3)NC(CNC([C@H](CC4=CN=CN4)NC([C@H](CC5=CN=CN5)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC6=CN=CN6)NC([C@@H](NC([C@H](CC(O)=O)N)=O)CO)=O)=O)C)=O)CCCCN)=O)CCCNC(=N)N)=O)=O)=O)=O)=O)CCCCN)=O)CCCNC(=N)N)=O)CCCCN)=O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC7=CN=CN7)C(N[C@@H](CC8=CN=CN8)C(N[C@H](C(N[C@@H](CC9=CN=CN9)C(N[C@H](C(NCC(N[C@@H](CC%10=CC=C(O)C=C%10)C(O)=O)=O)=O)CCCNC(=N)N)=O)=O)CO)=O)=O)=O)CCCCN)=O)CCC(O)=O)=O
UNII 4281SUF5M7
Synonyms
MFCD00210682, 115966-68-2, Histatin 5, >=97% (HPLC), RS-2009, Histatin-5 (DSHAKRHHGYKRKFHEKHHSHRGY-acid), L-Tyrosine,l-a-aspartyl-L-seryl-L-histidyl-L-alanyl-L-Lysyl-L-arginyl-L-histidyl-L-histidylglycyl-L-tyrosyl-L-Lysyl-L-arginyl-L-Lysyl-L-phenylalanyl-L-histidyl-L-a-glutamyl-l-lysyl-l-histidyl-l-histi, HISTATIN 5, UNII-4281SUF5M7, KSXBMTJGDUPBBN-VPKNIDFUSA-N, 4281SUF5M7, 104339-66-4,

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited