WL47

WL47, a high-affinity cavolin-1 (CAV1) ligand, is a potent disrupter of CAV1 oligomers.

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CAT No: OPO-007

Synonyms/Alias: WL 47 - dimer

Chemical Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

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M.F/FormulaC80H130N24O18S4
M.W/Mr.1844.3
SequenceCSWMRLK CSWMRLK*
(Modifications: Disulfide Bridge = 1-1*)
InChIInChI=1S/C80H130N24O18S4/c1-43(2)33-59(71(113)97-57(77(119)120)21-11-13-27-81)99-67(109)53(23-15-29-89-79(85)86)93-69(111)55(25-31-123-5)95-73(115)61(35-45-37-91-51-19-9-7-17-47(45)51)101-75(117)63(39-105)103-65(107)49(83)41-125-126-42-50(84)66(108)104-64(40-106)76(118)102-62(36-46-38-92-52-20-10-8-18-48(46)52)74(116)96-56(26-32-124-6)70(112)94-54(24-16-30-90-80(87)88)68(110)100-60(34-44(3)4)72(114)98-58(78(121)122)22-12-14-28-82/h7-10,17-20,37-38,43-44,49-50,53-64,91-92,105-106H,11-16,21-36,39-42,81-84H2,1-6H3,(H,93,111)(H,94,112)(H,95,115)(H,96,116)(H,97,113)(H,98,114)(H,99,109)(H,100,110)(H,101,117)(H,102,118)(H,103,107)(H,104,108)(H,119,120)(H,121,122)(H4,85,86,89)(H4,87,88,90)/t49-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
InChI KeyDNQUEMNLAOMZEO-HFXGPFCTSA-N
Canonical SMILESCC(C)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CSSCC(C(=O)NC(CO)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)O)N)N
Isomeric SMILESCC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)N)N
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