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

Systemtic Name: 2-azanyl-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-4-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-(o-tolyl)benzoyl]-4-(3-pyridylmethylamino)butanoic acid CAS Name: 2-amino-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)-4-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 2-amino-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanyl-4-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-(o-tolyl)benzoyl]-4-(3-pyridylmethylamino)butyric acid Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(NCC3=CN=CC=C3)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(NCC3=CN=CC=C3)SC)(C(=O)O)N

InChI

InChI=1S/C25H27N3O3S/c1-17-8-3-4-10-19(17)20-11-5-6-12-21(20)23(29)25(26,24(30)31)14-22(32-2)28-16-18-9-7-13-27-15-18/h3-13,15,22,28H,14,16,26H2,1-2H3,(H,30,31)