2-(1H-imidazol-5-ylmethyl)-1-(2-methylphenyl)carbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-1-(2-methylphenyl)carbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(1H-imidazol-5-ylmethyl)-1-(2-methylbenzoyl)-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(1H-imidazol-5-ylmethyl)-1-[(2-methylphenyl)-oxomethyl]-5-(2-thiazolyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(1H-imidazol-5-ylmethyl)-1-(2-methylbenzoyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-(1H-imidazol-5-ylmethyl)-1-o-toluoyl-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(C(CC2(CC3=CN=CN3)C(=O)O)C(=O)O)C4=NC=CS4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(C(CC2(CC3=CN=CN3)C(=O)O)C(=O)O)C4=NC=CS4

InChI

InChI=1S/C21H20N4O5S/c1-12-4-2-3-5-14(12)18(26)25-16(17-23-6-7-31-17)15(19(27)28)9-21(25,20(29)30)8-13-10-22-11-24-13/h2-7,10-11,15-16H,8-9H2,1H3,(H,22,24)(H,27,28)(H,29,30)