3-methyl-4-[2-(3-oxidanylidene-4-phenyl-piperazin-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-4-[2-(3-oxidanylidene-4-phenyl-piperazin-1-yl)ethanoylamino]butanoic acid Openeye Name: 3-methyl-4-[[2-(3-oxo-4-phenyl-piperazin-1-yl)acetyl]amino]butanoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(3-oxo-4-phenyl-1-piperazinyl)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-4-[[2-(3-oxo-4-phenylpiperazin-1-yl)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(3-keto-4-phenyl-piperazino)acetyl]amino]-3-methyl-butyric acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)CNC(=O)CN1CCN(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)O)CNC(=O)CN1CCN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O4/c1-13(9-17(23)24)10-18-15(21)11-19-7-8-20(16(22)12-19)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,21)(H,23,24)