3-methyl-2-[[2-(2-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(2-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(2-methylpiperazin-1-yl)-2-oxo-ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(2-methyl-1-piperazinyl)-2-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-(2-methylpiperazino)ethyl]amino]-3-methyl-butyric acid Formula: C12H23N3O3 MolecularWeight: 257.32932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C(=O)CNC(C(C)C)C(=O)O

Isomeric SMILES

CC1CNCCN1C(=O)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C12H23N3O3/c1-8(2)11(12(17)18)14-7-10(16)15-5-4-13-6-9(15)3/h8-9,11,13-14H,4-7H2,1-3H3,(H,17,18)