2-(3-azanyl-3-oxidanylidene-propyl)-1-(2-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-1-(2-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-1-(2-methylbenzoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-1-[(2-methylphenyl)-oxomethyl]-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-1-(2-methylbenzoyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-(3-amino-3-keto-propyl)-1-o-toluoyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(C(CC2(CCC(=O)N)C(=O)O)C(=O)O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(C(CC2(CCC(=O)N)C(=O)O)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O6S/c1-12-5-2-3-6-13(12)18(25)23-17(15-7-4-10-30-15)14(19(26)27)11-21(23,20(28)29)9-8-16(22)24/h2-7,10,14,17H,8-9,11H2,1H3,(H2,22,24)(H,26,27)(H,28,29)