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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

InChI

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