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2-[2-[carboxymethyl-[2-[carboxymethyl-[3-oxidanylidene-3-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]propyl]amino]ethyl]amino]ethyl-[3-oxidanylidene-3-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethylamino]propyl]amino]ethanoic acid
2-[2-[carboxymethyl-[2-[carboxymethyl-[3-oxidanylidene-3-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]propyl]amino]ethyl]amino]ethyl-[3-oxidanylidene-3-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethylamino]propyl]amino]ethanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCN(CCN(CCN(CCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)CC(=O)O)CC(=O)O)CC(=O)O
Isomeric SMILES
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCN(CCN(CCN(CCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C80H139N7O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-74(88)81-51-61-98-65-66-99-63-53-83-76(90)49-55-85(71-78(92)93)57-59-87(73-80(96)97)60-58-86(72-79(94)95)56-50-77(91)84-54-64-101-68-70-102-69-67-100-62-52-82-75(89)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24,33-73H2,1-2H3,(H,81,88)(H,82,89)(H,83,90)(H,84,91)(H,92,93)(H,94,95)(H,96,97)
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