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

Systemtic Name: 3-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[3-[[[(2,4-dimethylphenyl)methylamino]-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-[(2,4-dimethylbenzyl)carbamoylamino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)O)(C)C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)O)(C)C)O)C

InChI

InChI=1S/C26H33N3O5S/c1-16-10-11-19(17(2)12-16)14-27-25(34)28-20(13-18-8-6-5-7-9-18)21(30)23(31)29-15-35-26(3,4)22(29)24(32)33/h5-12,20-22,30H,13-15H2,1-4H3,(H,32,33)(H2,27,28,34)