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

Systemtic Name: 5-methylsulfanyl-3-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-methylsulfanyl-3-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]pentanoic acid CAS Name: 5-(methylthio)-3-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-methylsulfanyl-3-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid Traditional Name: 5-(methylthio)-3-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]valeric acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CC(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(CC(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

InChI

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