4-methylsulfonyl-2-[[2-phenyl-4-[(pyridin-3-ylamino)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[2-phenyl-4-[(pyridin-3-ylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-phenyl-4-[(3-pyridylamino)methyl]benzoyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo-[2-phenyl-4-[(3-pyridinylamino)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[2-phenyl-4-[(pyridin-3-ylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-phenyl-4-[(3-pyridylamino)methyl]benzoyl]amino]butyric acid Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O5S/c1-33(31,32)13-11-22(24(29)30)27-23(28)20-10-9-17(15-26-19-8-5-12-25-16-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14,16,22,26H,11,13,15H2,1H3,(H,27,28)(H,29,30)