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

Systemtic Name: 3-[[3-[3-(cyclopropylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[3-(cyclopropanecarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[3-[[cyclopropyl(oxo)methyl]amino]-4-(4-morpholinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[3-(cyclopropanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[3-(cyclopropanecarbonylamino)-4-morpholino-phenyl]benzyl]-nicotinoyl-amino]-3-(3-pyridyl)propionic acid Formula: C35H35N5O5 MolecularWeight: 605.6829

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=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

C1CC1C(=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/C35H35N5O5/c41-33(42)20-32(28-6-2-12-36-21-28)40(35(44)29-7-3-13-37-22-29)23-24-4-1-5-26(18-24)27-10-11-31(39-14-16-45-17-15-39)30(19-27)38-34(43)25-8-9-25/h1-7,10-13,18-19,21-22,25,32H,8-9,14-17,20,23H2,(H,38,43)(H,41,42)