4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-2-phosphono-1,3-dioxolane-2,4-dicarboxylic acid

Systemtic Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-2-phosphono-1,3-dioxolane-2,4-dicarboxylic acid Openeye Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-2-phosphono-1,3-dioxolane-2,4-dicarboxylic acid CAS Name: 4-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]-2-phosphono-1,3-dioxolane-2,4-dicarboxylic acid IUPAC Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]-2-phosphono-1,3-dioxolane-2,4-dicarboxylic acid Traditional Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-2-phosphono-1,3-dioxolane-2,4-dicarboxylic acid Formula: C31H32NO13P MolecularWeight: 657.558441

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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)N(CC(=O)O)C(=O)C4(COC(O4)(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)O)C(=O)C4(COC(O4)(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C31H32NO13P/c1-20(32(18-26(33)34)27(35)30(28(36)37)19-43-31(45-30,29(38)39)46(40,41)42)25(17-12-21-8-4-2-5-9-21)22-13-15-24(16-14-22)44-23-10-6-3-7-11-23/h2-11,13-16,20,25H,12,17-19H2,1H3,(H,33,34)(H,36,37)(H,38,39)(H2,40,41,42)