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

Systemtic Name: 3-[[3-[3-(methoxycarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-(methoxycarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-(methoxycarbonylamino)-4-(4-morpholinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-(methoxycarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-(carbomethoxyamino)-4-morpholino-phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C28H30N4O6 MolecularWeight: 518.561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCC(=O)O)C(=O)C3=CN=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCC(=O)O)C(=O)C3=CN=CC=C3)N4CCOCC4

InChI

InChI=1S/C28H30N4O6/c1-37-28(36)30-24-17-22(7-8-25(24)31-12-14-38-15-13-31)21-5-2-4-20(16-21)19-32(11-9-26(33)34)27(35)23-6-3-10-29-18-23/h2-8,10,16-18H,9,11-15,19H2,1H3,(H,30,36)(H,33,34)