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

Systemtic Name: 2-[[2-methoxy-5-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-methoxy-5-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-methoxy-5-[3-[[oxo(propylamino)methyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-methoxy-5-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-methoxy-5-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCNC(=O)NC1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29N3O6S/c1-3-14-27-26(32)28-21-11-7-10-19(16-21)20-12-13-23(35-2)24(17-20)36(33,34)29-22(25(30)31)15-18-8-5-4-6-9-18/h4-13,16-17,22,29H,3,14-15H2,1-2H3,(H,30,31)(H2,27,28,32)