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

Systemtic Name: 2-[bis[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]pentanedioic acid Openeye Name: 2-[bis[2-[[1-(benzyloxymethyl)-2-hydroxy-2-oxo-ethyl]-(carboxymethyl)amino]ethyl]amino]pentanedioic acid CAS Name: 2-[bis[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]pentanedioic acid IUPAC Name: 2-[bis[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]pentanedioic acid Traditional Name: 2-[bis[2-[[1-(benzoxymethyl)-2-hydroxy-2-keto-ethyl]-(carboxymethyl)amino]ethyl]amino]glutaric acid Formula: C33H43N3O14 MolecularWeight: 705.70622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43N3O14/c37-28(38)12-11-25(31(43)44)34(13-15-35(17-29(39)40)26(32(45)46)21-49-19-23-7-3-1-4-8-23)14-16-36(18-30(41)42)27(33(47)48)22-50-20-24-9-5-2-6-10-24/h1-10,25-27H,11-22H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)