4-[2-(4-dimethylaminophenyl)ethanoylamino]-3,3-dimethyl-2-(3-phenylpropanoylamino)butanoic acid

Systemtic Name: 4-[2-(4-dimethylaminophenyl)ethanoylamino]-3,3-dimethyl-2-(3-phenylpropanoylamino)butanoic acid Openeye Name: 4-[[2-(4-dimethylaminophenyl)acetyl]amino]-3,3-dimethyl-2-(3-phenylpropanoylamino)butanoic acid CAS Name: 4-[[2-(4-dimethylaminophenyl)-1-oxoethyl]amino]-3,3-dimethyl-2-[(1-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-[[2-(4-dimethylaminophenyl)acetyl]amino]-3,3-dimethyl-2-(3-phenylpropanoylamino)butanoic acid Traditional Name: 4-[[2-(4-dimethylaminophenyl)acetyl]amino]-2-(hydrocinnamoylamino)-3,3-dimethyl-butyric acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1=CC=C(C=C1)N(C)C)C(C(=O)O)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CNC(=O)CC1=CC=C(C=C1)N(C)C)C(C(=O)O)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O4/c1-25(2,17-26-22(30)16-19-10-13-20(14-11-19)28(3)4)23(24(31)32)27-21(29)15-12-18-8-6-5-7-9-18/h5-11,13-14,23H,12,15-17H2,1-4H3,(H,26,30)(H,27,29)(H,31,32)