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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-pyrazin-2-yl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrazin-2-yl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(2-pyrazinyl)-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-pyrazin-2-yl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrazin-2-yl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C25H29N5O4S MolecularWeight: 495.59386

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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=NC=CN=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4S/c1-24(2,3)19-6-5-17(11-20(19)34-4)22(31)30-10-9-29(21-13-26-7-8-27-21)15-25(30,23(32)33)12-18-14-35-16-28-18/h5-8,11,13-14,16H,9-10,12,15H2,1-4H3,(H,32,33)