2-[bis[2-[bis(carboxymethyl)amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propyl]amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-[bis[2-[bis(carboxymethyl)amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propyl]amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propanoic acid Openeye Name: 2-[bis[2-[bis(carboxymethyl)amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propyl]amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propanoic acid CAS Name: 2-[bis[2-[bis(carboxymethyl)amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propyl]amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propanoic acid IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propyl]amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propanoic acid Traditional Name: 2-[bis[2-[bis(carboxymethyl)amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propyl]amino]-3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]propionic acid Formula: C50H71N3O19 MolecularWeight: 1018.10744

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOC1=CC=C(C=C1)CC(CN(CC(CC2=CC=C(C=C2)OCCOCCOC)N(CC(=O)O)CC(=O)O)C(CC3=CC=C(C=C3)OCCOCCOC)C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

COCCOCCOC1=CC=C(C=C1)CC(CN(CC(CC2=CC=C(C=C2)OCCOCCOC)N(CC(=O)O)CC(=O)O)C(CC3=CC=C(C=C3)OCCOCCOC)C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C50H71N3O19/c1-64-16-19-67-22-25-70-42-10-4-37(5-11-42)28-40(51(33-46(54)55)34-47(56)57)31-53(45(50(62)63)30-39-8-14-44(15-9-39)72-27-24-69-21-18-66-3)32-41(52(35-48(58)59)36-49(60)61)29-38-6-12-43(13-7-38)71-26-23-68-20-17-65-2/h4-15,40-41,45H,16-36H2,1-3H3,(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)