2-[[4-[2-(4-aminophenyl)ethynyl]-6-[[[4-[2-(4-aminophenyl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]methyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]methyl]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-[2-(4-aminophenyl)ethynyl]-6-[[[4-[2-(4-aminophenyl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]methyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]methyl]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[4-[2-(4-aminophenyl)ethynyl]-6-[[[4-[2-(4-aminophenyl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]-2-pyridyl]methyl-(2-ethoxy-2-oxo-ethyl)amino]methyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[4-[2-(4-aminophenyl)ethynyl]-6-[[[4-[2-(4-aminophenyl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[4-[2-(4-aminophenyl)ethynyl]-6-[[[4-[2-(4-aminophenyl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]methyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[4-[2-(4-aminophenyl)ethynyl]-6-[[[4-[2-(4-aminophenyl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]-2-pyridyl]methyl-(2-ethoxy-2-keto-ethyl)amino]methyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid Formula: C42H43N7O10 MolecularWeight: 805.83172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=NC(=CC(=C1)C#CC2=CC=C(C=C2)N)CN(CC(=O)O)CC(=O)O)CC3=NC(=CC(=C3)C#CC4=CC=C(C=C4)N)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

CCOC(=O)CN(CC1=NC(=CC(=C1)C#CC2=CC=C(C=C2)N)CN(CC(=O)O)CC(=O)O)CC3=NC(=CC(=C3)C#CC4=CC=C(C=C4)N)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C42H43N7O10/c1-2-59-42(58)27-47(19-34-15-30(5-3-28-7-11-32(43)12-8-28)17-36(45-34)21-48(23-38(50)51)24-39(52)53)20-35-16-31(6-4-29-9-13-33(44)14-10-29)18-37(46-35)22-49(25-40(54)55)26-41(56)57/h7-18H,2,19-27,43-44H2,1H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)