908009-54-1 Purity
96%
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Specification
The molecular formula of ZIP (scrambled) is C90H154N30O17.
Some synonyms for ZIP (scrambled) are 908012-18-0, z-Pseudosubstrate inhibitory peptide (scrambled), AKOS024457484, and PD079451.
ZIP (scrambled) was created on February 23, 2015.
ZIP (scrambled) was last modified on December 30, 2023.
The computed IUPAC name of ZIP (scrambled) is (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-(tetradecanoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoic acid.
The computed InChI of ZIP (scrambled) is InChI=1S/C90H154N30O17/c1-7-9-10-11-12-13-14-15-16-17-18-36-71(123)110-61(31-23-42-102-86(92)93)75(126)116-67(47-53(3)4)80(131)117-68(48-56-37-39-58(122)40-38-56)81(132)114-63(32-24-43-103-87(94)95)77(128)112-62(30-21-22-41-91)76(127)113-65(34-26-45-105-89(98)99)79(130)120-73(54(5)8-2)84(135)118-69(49-57-50-107-60-29-20-19-28-59(57)60)82(133)115-64(33-25-44-104-88(96)97)78(129)119-70(52-121)83(134)109-55(6)74(125)108-51-72(124)111-66(85(136)137)35-27-46-106-90(100)101/h19-20,28-29,37-40,50,53-55,61-70,73,107,121-122H,7-18,21-27,30-36,41-49,51-52,91H2,1-6H3,(H,108,125)(H,109,134)(H,110,123)(H,111,124)(H,112,128)(H,113,127)(H,114,132)(H,115,133)(H,116,126)(H,117,131)(H,118,135)(H,119,129)(H,120,130)(H,136,137)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t54-,55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-/m0/s1.
The computed InChIKey of ZIP (scrambled) is RGEXADZIYANTGH-HOHDCHNJSA-N.
The canonical SMILES of ZIP (scrambled) is CCCCCCCCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O.
The molecular weight of ZIP (scrambled) is 1928.4 g/mol.
The XLogP3-AA value of ZIP (scrambled) is 0.3.
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