2-[[4-[(6-bromanyl-4-phenyl-quinazolin-2-yl)-(carboxymethyl)amino]phenyl]sulfonyl-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[(6-bromanyl-4-phenyl-quinazolin-2-yl)-(carboxymethyl)amino]phenyl]sulfonyl-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[(6-bromo-4-phenyl-quinazolin-2-yl)-(carboxymethyl)amino]phenyl]sulfonyl-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[(6-bromo-4-phenyl-2-quinazolinyl)-(carboxymethyl)amino]phenyl]sulfonyl-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[(6-bromo-4-phenylquinazolin-2-yl)-(carboxymethyl)amino]phenyl]sulfonyl-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[(6-bromo-4-phenyl-quinazolin-2-yl)-(carboxymethyl)amino]phenyl]sulfonyl-methyl-amino]-3-phenyl-propionic acid Formula: C32H27BrN4O6S MolecularWeight: 675.54898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)N(CC(=O)O)C3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)N(CC(=O)O)C3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C32H27BrN4O6S/c1-36(28(31(40)41)18-21-8-4-2-5-9-21)44(42,43)25-15-13-24(14-16-25)37(20-29(38)39)32-34-27-17-12-23(33)19-26(27)30(35-32)22-10-6-3-7-11-22/h2-17,19,28H,18,20H2,1H3,(H,38,39)(H,40,41)