2-[carboxymethyl-[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[2-[[1-(benzyloxymethyl)-2-hydroxy-2-oxo-ethyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid CAS Name: 2-[carboxymethyl-[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[carboxymethyl-[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[2-[[1-(benzoxymethyl)-2-hydroxy-2-keto-ethyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propionic acid Formula: C26H32N2O10 MolecularWeight: 532.53968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CC(=O)O)C(COCC2=CC=CC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CC(=O)O)C(COCC2=CC=CC=C2)C(=O)O)CC(=O)O

InChI

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