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

Systemtic Name: 5,5-dimethyl-3-[2-oxidanyl-4-phenyl-3-(prop-2-enylcarbamoylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-(allylcarbamoylamino)-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-1-oxo-3-[[oxo-(prop-2-enylamino)methyl]amino]-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-hydroxy-4-phenyl-3-(prop-2-enylcarbamoylamino)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(allylcarbamoylamino)-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-4-10-21-19(28)22-14(11-13-8-6-5-7-9-13)15(24)17(25)23-12-29-20(2,3)16(23)18(26)27/h4-9,14-16,24H,1,10-12H2,2-3H3,(H,26,27)(H2,21,22,28)