Structure

ZIP (SCRAMBLED)

CAS
908012-18-0
Catalog Number
ACM908012180
Category
Other Products
Molecular Weight
1928.4
Molecular Formula
C90H154N30O17

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Specification

IUPAC Name
ZIP (Scrambled)
Exact Mass
1927.21000
What is the molecular formula of ZIP (scrambled)?

The molecular formula of ZIP (scrambled) is C90H154N30O17.

What are some synonyms for ZIP (scrambled)?

Some synonyms for ZIP (scrambled) are 908012-18-0, z-Pseudosubstrate inhibitory peptide (scrambled), AKOS024457484, and PD079451.

When was ZIP (scrambled) created?

ZIP (scrambled) was created on February 23, 2015.

When was ZIP (scrambled) last modified?

ZIP (scrambled) was last modified on December 30, 2023.

What is the computed IUPAC name of ZIP (scrambled)?

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.

What is the computed InChI of ZIP (scrambled)?

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.

What is the computed InChIKey of ZIP (scrambled)?

The computed InChIKey of ZIP (scrambled) is RGEXADZIYANTGH-HOHDCHNJSA-N.

What is the canonical SMILES of ZIP (scrambled)?

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.

What is the molecular weight of ZIP (scrambled)?

The molecular weight of ZIP (scrambled) is 1928.4 g/mol.

What is the XLogP3-AA value of ZIP (scrambled)?

The XLogP3-AA value of ZIP (scrambled) is 0.3.

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