2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-tert-butoxycarbonylpiperazin-1-yl)sulfonyl-propanoic acid CAS Name: 2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-(4-tert-butoxycarbonylpiperazino)sulfonyl-propionic acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)27-18(24)20-9-11-21(12-10-20)28(25,26)14-16(17(22)23)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,22,23)