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

Systemtic Name: 3-[[3-[4-morpholin-4-yl-3-(2-phenylethanoylamino)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[4-morpholino-3-[(2-phenylacetyl)amino]phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-(4-morpholinyl)-3-[(1-oxo-2-phenylethyl)amino]phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[4-morpholin-4-yl-3-[(2-phenylacetyl)amino]phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[4-morpholino-3-[(2-phenylacetyl)amino]phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C34H34N4O5 MolecularWeight: 578.65756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H34N4O5/c39-32(21-25-6-2-1-3-7-25)36-30-22-28(11-12-31(30)37-16-18-43-19-17-37)27-9-4-8-26(20-27)24-38(15-13-33(40)41)34(42)29-10-5-14-35-23-29/h1-12,14,20,22-23H,13,15-19,21,24H2,(H,36,39)(H,40,41)