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gadolinium(3+); 2-[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[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]ethanoate
gadolinium(3+); 2-[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[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]ethanoate
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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-].[Gd+3]
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-].[Gd+3]
InChI
InChI=1S/C80H139N7O15.Gd/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);/q;+3/p-3
Other Product
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- trimethyl-[2-(4-methyl-3-oxidanylidene-pent-4-enoxy)-2-oxidanylidene-ethyl]azanium
- (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl
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- sodium 2-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propoxy]-oxidanidyl-phosphoryl]oxyethylcarbamoylamino]ethyl [3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propyl] phosphate
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