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

Systemtic Name: 4-(2-acetamidoethanoyl)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 4-(2-acetamidoacetyl)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 4-(2-acetamido-1-oxoethyl)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(2-acetamidoacetyl)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 4-(2-acetamidoacetyl)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)N1CCN(C(C1)(CC2=CSC=N2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CC(=O)NCC(=O)N1CCN(C(C1)(CC2=CSC=N2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C25H32N4O6S/c1-16(30)26-12-21(31)28-8-9-29(25(14-28,23(33)34)11-18-13-36-15-27-18)22(32)17-6-7-19(24(2,3)4)20(10-17)35-5/h6-7,10,13,15H,8-9,11-12,14H2,1-5H3,(H,26,30)(H,33,34)