5-[carboxymethyl-[3-(3-oxidanyl-4-phenoxy-phenyl)-5-phenyl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid

Systemtic Name: 5-[carboxymethyl-[3-(3-oxidanyl-4-phenoxy-phenyl)-5-phenyl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Openeye Name: 5-[carboxymethyl-[2-(3-hydroxy-4-phenoxy-phenyl)-1-methyl-4-phenyl-butyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid CAS Name: 5-[[carboxymethyl-[3-(3-hydroxy-4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2,4-tricarboxylic acid IUPAC Name: 5-[carboxymethyl-[3-(3-hydroxy-4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Traditional Name: 5-[carboxymethyl-[2-(3-hydroxy-4-phenoxy-phenyl)-1-methyl-4-phenyl-butyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Formula: C32H31NO13 MolecularWeight: 637.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)O)N(CC(=O)O)C(=O)C4C(OC(O4)(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)O)N(CC(=O)O)C(=O)C4C(OC(O4)(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C32H31NO13/c1-18(33(17-25(35)36)28(37)26-27(29(38)39)46-32(45-26,30(40)41)31(42)43)22(14-12-19-8-4-2-5-9-19)20-13-15-24(23(34)16-20)44-21-10-6-3-7-11-21/h2-11,13,15-16,18,22,26-27,34H,12,14,17H2,1H3,(H,35,36)(H,38,39)(H,40,41)(H,42,43)