2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-4-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-4-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-(3-pyridylmethylamino)butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-4-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-4-(3-pyridylmethylamino)butyric acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NCC3=CN=CC=C3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NCC3=CN=CC=C3

InChI

InChI=1S/C24H25N3O3S/c1-31-21(27-16-17-8-7-13-26-15-17)14-24(25,23(29)30)22(28)20-12-6-5-11-19(20)18-9-3-2-4-10-18/h2-13,15,21,27H,14,16,25H2,1H3,(H,29,30)