3-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl-cyclopropylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl-cyclopropylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(3-benzamido-4-morpholino-phenyl)phenyl]methyl-(cyclopropanecarbonyl)amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[3-benzamido-4-(4-morpholinyl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(3-benzamido-4-morpholin-4-ylphenyl)phenyl]methyl-(cyclopropanecarbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(3-benzamido-4-morpholino-phenyl)benzyl]-(cyclopropanecarbonyl)amino]-3-(3-pyridyl)propionic acid Formula: C36H36N4O5 MolecularWeight: 604.69484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5)C(CC(=O)O)C6=CN=CC=C6

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5)C(CC(=O)O)C6=CN=CC=C6

InChI

InChI=1S/C36H36N4O5/c41-34(42)22-33(30-10-5-15-37-23-30)40(36(44)27-11-12-27)24-25-6-4-9-28(20-25)29-13-14-32(39-16-18-45-19-17-39)31(21-29)38-35(43)26-7-2-1-3-8-26/h1-10,13-15,20-21,23,27,33H,11-12,16-19,22,24H2,(H,38,43)(H,41,42)