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

Systemtic Name: (2S)-3-phenyl-2-[[4-[(4-pyridin-3-ylcarbonylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[4-[[4-(pyridine-3-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-[[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[4-[[4-(pyridine-3-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-[(4-nicotinoylpiperazino)methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H28N4O4/c32-25(29-24(27(34)35)17-20-5-2-1-3-6-20)22-10-8-21(9-11-22)19-30-13-15-31(16-14-30)26(33)23-7-4-12-28-18-23/h1-12,18,24H,13-17,19H2,(H,29,32)(H,34,35)/t24-/m0/s1