4-methylsulfanyl-2-[[4-(2-oxidanyl-2-pyridin-3-yl-ethyl)-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(2-oxidanyl-2-pyridin-3-yl-ethyl)-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[2-hydroxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[2-hydroxy-2-(3-pyridinyl)ethyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(2-hydroxy-2-pyridin-3-ylethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[2-hydroxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CC(C2=CN=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CC(C2=CN=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4S/c1-32-13-11-22(25(30)31)27-24(29)20-10-9-17(14-21(20)18-6-3-2-4-7-18)15-23(28)19-8-5-12-26-16-19/h2-10,12,14,16,22-23,28H,11,13,15H2,1H3,(H,27,29)(H,30,31)