6-azanyl-3-cyano-2-methyl-1-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-4-(3-phenylquinolin-5-yl)-2H-pyridine-5-carboxylic acid

Systemtic Name: 6-azanyl-3-cyano-2-methyl-1-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-4-(3-phenylquinolin-5-yl)-2H-pyridine-5-carboxylic acid Openeye Name: 6-amino-1-[2-(benzyloxycarbonylamino)-3-phenyl-propyl]-3-cyano-2-methyl-4-(3-phenyl-5-quinolyl)-2H-pyridine-5-carboxylic acid CAS Name: 6-amino-3-cyano-2-methyl-1-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-4-(3-phenyl-5-quinolinyl)-2H-pyridine-5-carboxylic acid IUPAC Name: 6-amino-3-cyano-2-methyl-1-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-4-(3-phenylquinolin-5-yl)-2H-pyridine-5-carboxylic acid Traditional Name: 6-amino-1-[2-(benzyloxycarbonylamino)-3-phenyl-propyl]-3-cyano-2-methyl-4-(3-phenyl-5-quinolyl)-2H-pyridine-5-carboxylic acid Formula: C40H35N5O4 MolecularWeight: 649.737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=C(N1CC(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)N)C(=O)O)C4=C5C=C(C=NC5=CC=C4)C6=CC=CC=C6)C#N

Isomeric SMILES

CC1C(=C(C(=C(N1CC(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)N)C(=O)O)C4=C5C=C(C=NC5=CC=C4)C6=CC=CC=C6)C#N

InChI

InChI=1S/C40H35N5O4/c1-26-34(22-41)36(32-18-11-19-35-33(32)21-30(23-43-35)29-16-9-4-10-17-29)37(39(46)47)38(42)45(26)24-31(20-27-12-5-2-6-13-27)44-40(48)49-25-28-14-7-3-8-15-28/h2-19,21,23,26,31H,20,24-25,42H2,1H3,(H,44,48)(H,46,47)