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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-cyclopentylcarbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(cyclopentanecarbonyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[cyclopentyl(oxo)methyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(cyclopentanecarbonyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(cyclopentanecarbonyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C27H35N3O5S MolecularWeight: 513.6489

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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)C4CCCC4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C(=O)C4CCCC4)OC

InChI

InChI=1S/C27H35N3O5S/c1-26(2,3)21-10-9-19(13-22(21)35-4)24(32)30-12-11-29(23(31)18-7-5-6-8-18)16-27(30,25(33)34)14-20-15-36-17-28-20/h9-10,13,15,17-18H,5-8,11-12,14,16H2,1-4H3,(H,33,34)