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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(cyclohexylcarbamoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(cyclohexylcarbamoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[(cyclohexylamino)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(cyclohexylcarbamoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(cyclohexylcarbamoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C28H38N4O5S MolecularWeight: 542.69012

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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)NC4CCCCC4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C(=O)NC4CCCCC4)OC

InChI

InChI=1S/C28H38N4O5S/c1-27(2,3)22-11-10-19(14-23(22)37-4)24(33)32-13-12-31(26(36)30-20-8-6-5-7-9-20)17-28(32,25(34)35)15-21-16-38-18-29-21/h10-11,14,16,18,20H,5-9,12-13,15,17H2,1-4H3,(H,30,36)(H,34,35)