1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(2,2-dimethylpropanoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(2,2-dimethylpropanoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(2,2-dimethylpropanoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(2,2-dimethyl-1-oxopropyl)-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(2,2-dimethylpropanoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-pivaloyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C(=O)C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C(=O)C(C)(C)C)OC

InChI

InChI=1S/C26H35N3O5S/c1-24(2,3)19-9-8-17(12-20(19)34-7)21(30)29-11-10-28(22(31)25(4,5)6)15-26(29,23(32)33)13-18-14-35-16-27-18/h8-9,12,14,16H,10-11,13,15H2,1-7H3,(H,32,33)