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

Systemtic Name: 5,5-dimethyl-3-[2-oxidanyl-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-1-oxo-3-(1-oxopent-4-ynylamino)-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)CCC#C)O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)CCC#C)O)C(=O)O)C

InChI

InChI=1S/C21H26N2O5S/c1-4-5-11-16(24)22-15(12-14-9-7-6-8-10-14)17(25)19(26)23-13-29-21(2,3)18(23)20(27)28/h1,6-10,15,17-18,25H,5,11-13H2,2-3H3,(H,22,24)(H,27,28)