1-cyclohexylcarbonyl-4-(5-methylfuran-2-yl)carbonyl-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-cyclohexylcarbonyl-4-(5-methylfuran-2-yl)carbonyl-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(cyclohexanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[cyclohexyl(oxo)methyl]-4-[(5-methyl-2-furanyl)-oxomethyl]-3,5-bis(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(cyclohexanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(cyclohexanecarbonyl)-4-(5-methyl-2-furoyl)-3,5-bis(3-methyl-2-thienyl)proline Formula: C28H31NO5S2 MolecularWeight: 525.67944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCCCC3)C4=C(C=CS4)C)C(=O)C5=CC=C(O5)C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCCCC3)C4=C(C=CS4)C)C(=O)C5=CC=C(O5)C

InChI

InChI=1S/C28H31NO5S2/c1-15-11-13-35-25(15)21-20(24(30)19-10-9-17(3)34-19)22(26-16(2)12-14-36-26)29(23(21)28(32)33)27(31)18-7-5-4-6-8-18/h9-14,18,20-23H,4-8H2,1-3H3,(H,32,33)