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

Systemtic Name: 3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]imidazol-4-yl]propanoic acid Openeye Name: 3-[4-(3-benzyl-4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl)imidazol-4-yl]propanoic acid CAS Name: 3-[4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[4-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[4-(3-benzyl-4-tert-butoxycarbonyl-2-keto-piperazino)imidazol-4-yl]propionic acid Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C3(C=NC=N3)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C3(C=NC=N3)CCC(=O)O

InChI

InChI=1S/C22H28N4O5/c1-21(2,3)31-20(30)25-11-12-26(22(10-9-18(27)28)14-23-15-24-22)19(29)17(25)13-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H,27,28)