4-[2,2-dimethylpropyl-(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,2-dimethylpropyl-(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,2-dimethylpropyl-(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxo-butanoic acid CAS Name: 4-[2,2-dimethylpropyl-[2-methyl-2-(nitrosothio)propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[2,2-dimethylpropyl-(2-methyl-2-nitrososulfanylpropyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[2-methyl-2-(nitrosothio)propyl]-neopentyl-amino]butyric acid Formula: C13H24N2O4S MolecularWeight: 304.40566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC(C)(C)SN=O)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)CN(CC(C)(C)SN=O)C(=O)CCC(=O)O

InChI

InChI=1S/C13H24N2O4S/c1-12(2,3)8-15(9-13(4,5)20-14-19)10(16)6-7-11(17)18/h6-9H2,1-5H3,(H,17,18)