3-[2-[bis(carboxymethyl)amino]ethyl-(3-oxidanyl-3-oxidanylidene-2-phenylmethoxy-propyl)amino]-2-phenylmethoxy-propanoic acid

Systemtic Name: 3-[2-[bis(carboxymethyl)amino]ethyl-(3-oxidanyl-3-oxidanylidene-2-phenylmethoxy-propyl)amino]-2-phenylmethoxy-propanoic acid Openeye Name: 2-benzyloxy-3-[(2-benzyloxy-3-hydroxy-3-oxo-propyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]propanoic acid CAS Name: 3-[2-[bis(carboxymethyl)amino]ethyl-(3-hydroxy-3-oxo-2-phenylmethoxypropyl)amino]-2-phenylmethoxypropanoic acid IUPAC Name: 3-[2-[bis(carboxymethyl)amino]ethyl-(3-hydroxy-3-oxo-2-phenylmethoxypropyl)amino]-2-phenylmethoxypropanoic acid Traditional Name: 2-benzoxy-3-[(2-benzoxy-3-hydroxy-3-keto-propyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]propionic acid Formula: C26H32N2O10 MolecularWeight: 532.53968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CN(CCN(CC(=O)O)CC(=O)O)CC(C(=O)O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(CN(CCN(CC(=O)O)CC(=O)O)CC(C(=O)O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H32N2O10/c29-23(30)15-28(16-24(31)32)12-11-27(13-21(25(33)34)37-17-19-7-3-1-4-8-19)14-22(26(35)36)38-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)