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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-phenoxycarbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-phenoxycarbonyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[oxo(phenoxy)methyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-phenoxycarbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-carbophenoxy-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C28H31N3O6S MolecularWeight: 537.62724

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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)OC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C(=O)OC4=CC=CC=C4)OC

InChI

InChI=1S/C28H31N3O6S/c1-27(2,3)22-11-10-19(14-23(22)36-4)24(32)31-13-12-30(26(35)37-21-8-6-5-7-9-21)17-28(31,25(33)34)15-20-16-38-18-29-20/h5-11,14,16,18H,12-13,15,17H2,1-4H3,(H,33,34)