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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(pyridin-2-ylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(2-pyridylamino)methyl]benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(2-pyridinylamino)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(pyridin-2-ylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(2-pyridylamino)methyl]benzoyl]amino]butyric acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O3S/c1-31-14-12-21(24(29)30)27-23(28)19-11-10-17(16-26-22-9-5-6-13-25-22)15-20(19)18-7-3-2-4-8-18/h2-11,13,15,21H,12,14,16H2,1H3,(H,25,26)(H,27,28)(H,29,30)