3-[[3-[3-(cyclobutylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[3-(cyclobutylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[3-[[cyclobutyl(oxo)methyl]amino]-4-(4-morpholinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholino-phenyl]benzyl]-nicotinoyl-amino]-3-(3-pyridyl)propionic acid Formula: C36H37N5O5 MolecularWeight: 619.70948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(C(CC(=O)O)C4=CN=CC=C4)C(=O)C5=CN=CC=C5)N6CCOCC6

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(C(CC(=O)O)C4=CN=CC=C4)C(=O)C5=CN=CC=C5)N6CCOCC6

InChI

InChI=1S/C36H37N5O5/c42-34(43)21-33(29-9-3-13-37-22-29)41(36(45)30-10-4-14-38-23-30)24-25-5-1-8-27(19-25)28-11-12-32(40-15-17-46-18-16-40)31(20-28)39-35(44)26-6-2-7-26/h1,3-5,8-14,19-20,22-23,26,33H,2,6-7,15-18,21,24H2,(H,39,44)(H,42,43)