4-[3-(aminomethyl)pyridin-2-yl]-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid

Systemtic Name: 4-[3-(aminomethyl)pyridin-2-yl]-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid Openeye Name: 2-amino-4-[3-(aminomethyl)-2-pyridyl]-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid CAS Name: 2-amino-4-[3-(aminomethyl)-2-pyridinyl]-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]butanoic acid IUPAC Name: 2-amino-4-[3-(aminomethyl)pyridin-2-yl]-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid Traditional Name: 2-amino-4-[3-(aminomethyl)-2-pyridyl]-4-(methylthio)-2-(2-phenylbenzoyl)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)C3=C(C=CC=N3)CN

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)C3=C(C=CC=N3)CN

InChI

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