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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

InChI

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