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

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-(3-benzyl-4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl)-3-phenyl-propanoic acid CAS Name: 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]-3-phenylpropanoic acid IUPAC Name: 2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid Traditional Name: 2-(3-benzyl-4-tert-butoxycarbonyl-2-keto-piperazino)-3-phenyl-propionic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O5/c1-25(2,3)32-24(31)27-15-14-26(21(23(29)30)17-19-12-8-5-9-13-19)22(28)20(27)16-18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3,(H,29,30)