2-azanyl-3-[1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-3-[1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-amino-3-[1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-amino-3-[[1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-methylbutanoic acid IUPAC Name: 2-amino-3-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-amino-3-[[1-(2,6-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-3-methyl-butyric acid Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)SC(C)(C)C(C(=O)O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)SC(C)(C)C(C(=O)O)N

InChI

InChI=1S/C17H22N2O4S/c1-9-6-5-7-10(2)13(9)19-12(20)8-11(15(19)21)24-17(3,4)14(18)16(22)23/h5-7,11,14H,8,18H2,1-4H3,(H,22,23)