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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-1-(2-methylphenyl)carbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-1-(2-methylbenzoyl)-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-1-[(2-methylphenyl)-oxomethyl]-5-(2-thiazolyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-1-(2-methylbenzoyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-(3-amino-3-keto-propyl)-1-o-toluoyl-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid Formula: C20H21N3O6S MolecularWeight: 431.46224

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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=NC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-11-4-2-3-5-12(11)17(25)23-15(16-22-8-9-30-16)13(18(26)27)10-20(23,19(28)29)7-6-14(21)24/h2-5,8-9,13,15H,6-7,10H2,1H3,(H2,21,24)(H,26,27)(H,28,29)