3-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-amino-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-amino-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-amino-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C31H32N6O3 MolecularWeight: 536.62418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N)C5=CC=CC=N5

InChI

InChI=1S/C31H32N6O3/c32-27-20-25(9-10-28(27)35-15-17-36(18-16-35)29-8-1-2-13-34-29)24-6-3-5-23(19-24)22-37(14-11-30(38)39)31(40)26-7-4-12-33-21-26/h1-10,12-13,19-21H,11,14-18,22,32H2,(H,38,39)