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

Systemtic Name: 3-[[3-[3-(cyclohexylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-(cyclohexanecarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-[[cyclohexyl(oxo)methyl]amino]-4-(4-morpholinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-(cyclohexanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-(cyclohexanecarbonylamino)-4-morpholino-phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C33H38N4O5 MolecularWeight: 570.67862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)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/C33H38N4O5/c38-31(39)13-15-37(33(41)28-10-5-14-34-22-28)23-24-6-4-9-26(20-24)27-11-12-30(36-16-18-42-19-17-36)29(21-27)35-32(40)25-7-2-1-3-8-25/h4-6,9-12,14,20-22,25H,1-3,7-8,13,15-19,23H2,(H,35,40)(H,38,39)