sodium 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethyl)phenyl]carbonylamino]butanoate

Systemtic Name: sodium 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethyl)phenyl]carbonylamino]butanoate Openeye Name: sodium 4-methylsulfanyl-2-[[2-phenyl-4-[2-(3-pyridyl)ethyl]benzoyl]amino]butanoate CAS Name: sodium 4-(methylthio)-2-[[oxo-[2-phenyl-4-[2-(3-pyridinyl)ethyl]phenyl]methyl]amino]butanoate IUPAC Name: sodium 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethyl)benzoyl]amino]butanoate Traditional Name: sodium 4-(methylthio)-2-[[2-phenyl-4-[2-(3-pyridyl)ethyl]benzoyl]amino]butyrate Formula: C25H25N2NaO3S MolecularWeight: 456.53237

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)CCC2=CN=CC=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)CCC2=CN=CC=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H26N2O3S.Na/c1-31-15-13-23(25(29)30)27-24(28)21-12-11-18(9-10-19-6-5-14-26-17-19)16-22(21)20-7-3-2-4-8-20;/h2-8,11-12,14,16-17,23H,9-10,13,15H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1