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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-thiazol-2-yl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(2-thiazolyl)-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-thiazol-2-yl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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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)C4=NC=CS4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C4=NC=CS4)OC

InChI

InChI=1S/C24H28N4O4S2/c1-23(2,3)18-6-5-16(11-19(18)32-4)20(29)28-9-8-27(22-25-7-10-34-22)14-24(28,21(30)31)12-17-13-33-15-26-17/h5-7,10-11,13,15H,8-9,12,14H2,1-4H3,(H,30,31)