2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylmethoxymethyl)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylmethoxymethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(3-pyridylmethoxymethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-(3-pyridinylmethoxymethyl)phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylmethoxymethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(3-pyridylmethoxymethyl)benzoyl]butyric acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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