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

Systemtic Name: 4-(1,3-benzoxazol-2-yl)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 4-(1,3-benzoxazol-2-yl)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 4-(1,3-benzoxazol-2-yl)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(1,3-benzoxazol-2-yl)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 4-(1,3-benzoxazol-2-yl)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C28H30N4O5S MolecularWeight: 534.6266

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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=NC5=CC=CC=C5O4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C4=NC5=CC=CC=C5O4)OC

InChI

InChI=1S/C28H30N4O5S/c1-27(2,3)20-10-9-18(13-23(20)36-4)24(33)32-12-11-31(26-30-21-7-5-6-8-22(21)37-26)16-28(32,25(34)35)14-19-15-38-17-29-19/h5-10,13,15,17H,11-12,14,16H2,1-4H3,(H,34,35)