3-[3-(butanoylamino)-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-(butanoylamino)-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-(butanoylamino)-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-1-oxo-3-(1-oxobutylamino)-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-(butanoylamino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3-butyramido-2-hydroxy-4-phenyl-butanoyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)O)(C)C)O

Isomeric SMILES

CCCC(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)O)(C)C)O

InChI

InChI=1S/C20H28N2O5S/c1-4-8-15(23)21-14(11-13-9-6-5-7-10-13)16(24)18(25)22-12-28-20(2,3)17(22)19(26)27/h5-7,9-10,14,16-17,24H,4,8,11-12H2,1-3H3,(H,21,23)(H,26,27)