2-[bis[2-[carboxymethyl-[2-oxidanylidene-2-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[bis[2-[carboxymethyl-[2-oxidanylidene-2-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[2-[2-[2-(1-oxopentacosa-10,12-diynylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[bis[2-[carboxymethyl-[2-keto-2-[2-[2-[2-[2-(pentacosa-10,12-diynoylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]acetic acid Formula: C80H139N7O16 MolecularWeight: 1454.99696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CCN(CC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CCN(CC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C80H139N7O16/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)81-49-57-98-61-65-102-67-63-100-59-51-83-76(90)69-86(72-79(94)95)55-53-85(71-78(92)93)54-56-87(73-80(96)97)70-77(91)84-52-60-101-64-68-103-66-62-99-58-50-82-75(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)