3-[[2-methoxy-5-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-methoxy-5-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-methoxy-5-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[2-methoxy-5-[3-[[oxo-(2-pyridinylmethylamino)methyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-methoxy-5-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[2-methoxy-5-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C29H28N4O6S MolecularWeight: 560.62082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O6S/c1-39-26-14-13-22(17-27(26)40(37,38)33-25(18-28(34)35)20-8-3-2-4-9-20)21-10-7-12-23(16-21)32-29(36)31-19-24-11-5-6-15-30-24/h2-17,25,33H,18-19H2,1H3,(H,34,35)(H2,31,32,36)