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

Systemtic Name: 4-[carboxymethyl-[5-phenyl-3-(4-thiophen-2-ylphenyl)pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Openeye Name: 4-[carboxymethyl-[1-methyl-4-phenyl-2-[4-(2-thienyl)phenyl]butyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid CAS Name: 4-[[carboxymethyl-[5-phenyl-3-(4-thiophen-2-ylphenyl)pentan-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2-dicarboxylic acid IUPAC Name: 4-[carboxymethyl-[5-phenyl-3-(4-thiophen-2-ylphenyl)pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Traditional Name: 4-[carboxymethyl-[1-methyl-4-phenyl-2-[4-(2-thienyl)phenyl]butyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Formula: C29H29NO9S MolecularWeight: 567.60686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CS3)N(CC(=O)O)C(=O)C4COC(O4)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CS3)N(CC(=O)O)C(=O)C4COC(O4)(C(=O)O)C(=O)O

InChI

InChI=1S/C29H29NO9S/c1-18(30(16-25(31)32)26(33)23-17-38-29(39-23,27(34)35)28(36)37)22(14-9-19-6-3-2-4-7-19)20-10-12-21(13-11-20)24-8-5-15-40-24/h2-8,10-13,15,18,22-23H,9,14,16-17H2,1H3,(H,31,32)(H,34,35)(H,36,37)