3-[[3-[4-morpholin-4-yl-3-(oxolan-2-ylcarbonylamino)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[4-morpholin-4-yl-3-(oxolan-2-ylcarbonylamino)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[4-morpholino-3-(tetrahydrofuran-2-carbonylamino)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-(4-morpholinyl)-3-[[oxo(2-oxolanyl)methyl]amino]phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[4-morpholin-4-yl-3-(oxolane-2-carbonylamino)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[4-morpholino-3-(tetrahydrofuran-2-carbonylamino)phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N5CCOCC5

Isomeric SMILES

C1CC(OC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N5CCOCC5

InChI

InChI=1S/C31H34N4O6/c36-29(37)10-12-35(31(39)25-6-2-11-32-20-25)21-22-4-1-5-23(18-22)24-8-9-27(34-13-16-40-17-14-34)26(19-24)33-30(38)28-7-3-15-41-28/h1-2,4-6,8-9,11,18-20,28H,3,7,10,12-17,21H2,(H,33,38)(H,36,37)