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

Systemtic Name: 4-methylsulfanyl-2-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[2-oxo-2-(2-pyridylamino)ethyl]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[2-oxo-2-(2-pyridinylamino)ethyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[2-keto-2-(2-pyridylamino)ethyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CC(=O)NC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CC(=O)NC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-33-14-12-21(25(31)32)27-24(30)19-11-10-17(15-20(19)18-7-3-2-4-8-18)16-23(29)28-22-9-5-6-13-26-22/h2-11,13,15,21H,12,14,16H2,1H3,(H,27,30)(H,31,32)(H,26,28,29)