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

Systemtic Name: (2S)-3-phenyl-2-[[4-[(4-quinolin-2-ylcarbonylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[4-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-[[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[4-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[4-[(4-quinaldoylpiperazino)methyl]benzoyl]amino]propionic acid Formula: C31H30N4O4 MolecularWeight: 522.5943

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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=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H30N4O4/c36-29(33-28(31(38)39)20-22-6-2-1-3-7-22)25-12-10-23(11-13-25)21-34-16-18-35(19-17-34)30(37)27-15-14-24-8-4-5-9-26(24)32-27/h1-15,28H,16-21H2,(H,33,36)(H,38,39)/t28-/m0/s1