5-methylsulfanyl-2-oxidanylidene-3-[[2-phenyl-4-(pyridin-3-ylmethoxymethyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-methylsulfanyl-2-oxidanylidene-3-[[2-phenyl-4-(pyridin-3-ylmethoxymethyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-methylsulfanyl-2-oxo-3-[[2-phenyl-4-(3-pyridylmethoxymethyl)benzoyl]amino]pentanoic acid CAS Name: 5-(methylthio)-2-oxo-3-[[oxo-[2-phenyl-4-(3-pyridinylmethoxymethyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-methylsulfanyl-2-oxo-3-[[2-phenyl-4-(pyridin-3-ylmethoxymethyl)benzoyl]amino]pentanoic acid Traditional Name: 2-keto-5-(methylthio)-3-[[2-phenyl-4-(3-pyridylmethoxymethyl)benzoyl]amino]valeric acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C(=O)O)NC(=O)C1=C(C=C(C=C1)COCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)C(=O)O)NC(=O)C1=C(C=C(C=C1)COCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-34-13-11-23(24(29)26(31)32)28-25(30)21-10-9-18(14-22(21)20-7-3-2-4-8-20)16-33-17-19-6-5-12-27-15-19/h2-10,12,14-15,23H,11,13,16-17H2,1H3,(H,28,30)(H,31,32)