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

Systemtic Name: 3-[[3-[4-morpholin-4-yl-3-(pyridin-4-ylcarbonylamino)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[4-morpholino-3-(pyridine-4-carbonylamino)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-(4-morpholinyl)-3-[[oxo(pyridin-4-yl)methyl]amino]phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[4-morpholin-4-yl-3-(pyridine-4-carbonylamino)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-(3-isonicotinamido-4-morpholino-phenyl)benzyl]-nicotinoyl-amino]propionic acid Formula: C32H31N5O5 MolecularWeight: 565.61904

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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)C5=CC=NC=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)C5=CC=NC=C5

InChI

InChI=1S/C32H31N5O5/c38-30(39)10-14-37(32(41)27-5-2-11-34-21-27)22-23-3-1-4-25(19-23)26-6-7-29(36-15-17-42-18-16-36)28(20-26)35-31(40)24-8-12-33-13-9-24/h1-9,11-13,19-21H,10,14-18,22H2,(H,35,40)(H,38,39)