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

Systemtic Name: 2-[[2-methoxy-5-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-methoxy-5-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-methoxy-5-[3-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-methoxy-5-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-methoxy-5-[3-(3-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=CN=CC=C3)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CN=CC=C3)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

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