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

Systemtic Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-2-sulfo-1,3-dioxolane-2-carboxylic acid Openeye Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-2-sulfo-1,3-dioxolane-2-carboxylic acid CAS Name: 4-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]-2-sulfo-1,3-dioxolane-2-carboxylic acid IUPAC Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]-2-sulfo-1,3-dioxolane-2-carboxylic acid Traditional Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-2-sulfo-1,3-dioxolane-2-carboxylic acid Formula: C30H31NO11S MolecularWeight: 613.63224

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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)C4COC(O4)(C(=O)O)S(=O)(=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)C4COC(O4)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H31NO11S/c1-20(31(18-27(32)33)28(34)26-19-40-30(42-26,29(35)36)43(37,38)39)25(17-12-21-8-4-2-5-9-21)22-13-15-24(16-14-22)41-23-10-6-3-7-11-23/h2-11,13-16,20,25-26H,12,17-19H2,1H3,(H,32,33)(H,35,36)(H,37,38,39)