1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-[(2-methoxyphenyl)carbamoyl]-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-[(2-methoxyphenyl)carbamoyl]-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-[(2-methoxyphenyl)carbamoyl]-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[(2-methoxyanilino)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-[(2-methoxyphenyl)carbamoyl]-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-[(2-methoxyphenyl)carbamoyl]-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C29H34N4O6S MolecularWeight: 566.66846

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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)NC4=CC=CC=C4OC)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C(=O)NC4=CC=CC=C4OC)OC

InChI

InChI=1S/C29H34N4O6S/c1-28(2,3)21-11-10-19(14-24(21)39-5)25(34)33-13-12-32(27(37)31-22-8-6-7-9-23(22)38-4)17-29(33,26(35)36)15-20-16-40-18-30-20/h6-11,14,16,18H,12-13,15,17H2,1-5H3,(H,31,37)(H,35,36)