3-[[3-[4-[butyl(methyl)amino]-3-(pyridin-3-ylcarbonylamino)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[4-[butyl(methyl)amino]-3-(pyridin-3-ylcarbonylamino)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[4-[butyl(methyl)amino]-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[4-[butyl(methyl)amino]-3-[[oxo(3-pyridinyl)methyl]amino]phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[4-[butyl(methyl)amino]-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[4-[butyl(methyl)amino]-3-nicotinamido-phenyl]benzyl]-(cyclopropanecarbonyl)amino]-3-(3-pyridyl)propionic acid Formula: C36H39N5O4 MolecularWeight: 605.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C2=CC(=CC=C2)CN(C(CC(=O)O)C3=CN=CC=C3)C(=O)C4CC4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C2=CC(=CC=C2)CN(C(CC(=O)O)C3=CN=CC=C3)C(=O)C4CC4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C36H39N5O4/c1-3-4-18-40(2)32-15-14-28(20-31(32)39-35(44)30-11-7-17-38-23-30)27-9-5-8-25(19-27)24-41(36(45)26-12-13-26)33(21-34(42)43)29-10-6-16-37-22-29/h5-11,14-17,19-20,22-23,26,33H,3-4,12-13,18,21,24H2,1-2H3,(H,39,44)(H,42,43)