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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylsulfanylmethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(3-pyridylsulfanylmethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-[(3-pyridinylthio)methyl]phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[(3-pyridylthio)methyl]benzoyl]butyric acid Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)CSC2=CN=CC=C2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)CSC2=CN=CC=C2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H24N2O3S2/c1-30-13-11-24(25,23(28)29)22(27)20-10-9-17(16-31-19-8-5-12-26-15-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14-15H,11,13,16,25H2,1H3,(H,28,29)