(2S)-3-phenyl-2-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[4-[4-(4-pyridyl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[4-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[4-[4-(4-pyridyl)piperazino]benzoyl]amino]propionic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C25H26N4O3/c30-24(27-23(25(31)32)18-19-4-2-1-3-5-19)20-6-8-21(9-7-20)28-14-16-29(17-15-28)22-10-12-26-13-11-22/h1-13,23H,14-18H2,(H,27,30)(H,31,32)/t23-/m0/s1