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

Systemtic Name: 3-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[3-amino-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[3-amino-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[3-amino-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]-(cyclopropanecarbonyl)amino]-3-(3-pyridyl)propionic acid Formula: C34H36N6O3 MolecularWeight: 576.68804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)N)C(CC(=O)O)C6=CN=CC=C6

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)N)C(CC(=O)O)C6=CN=CC=C6

InChI

InChI=1S/C34H36N6O3/c35-29-20-27(11-12-30(29)38-15-17-39(18-16-38)32-8-1-2-14-37-32)26-6-3-5-24(19-26)23-40(34(43)25-9-10-25)31(21-33(41)42)28-7-4-13-36-22-28/h1-8,11-14,19-20,22,25,31H,9-10,15-18,21,23,35H2,(H,41,42)