4-[4-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]phenyl]piperazine-1-carboxylic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O5/c1-21(2,3)18(23-19(27)30-22(4,5)6)17(26)15-7-9-16(10-8-15)24-11-13-25(14-12-24)20(28)29/h7-10,18H,11-14H2,1-6H3,(H,23,27)(H,28,29)