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

Systemtic Name: 4-(2-azanylethanoyl)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 4-(2-aminoacetyl)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 4-(2-amino-1-oxoethyl)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(2-aminoacetyl)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-glycyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C23H30N4O5S MolecularWeight: 474.5731

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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)CN)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5S/c1-22(2,3)17-6-5-15(9-18(17)32-4)20(29)27-8-7-26(19(28)11-24)13-23(27,21(30)31)10-16-12-33-14-25-16/h5-6,9,12,14H,7-8,10-11,13,24H2,1-4H3,(H,30,31)