3-[4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]piperazino]propionic acid Formula: C13H22N4O3 MolecularWeight: 282.33878

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1CCN(CC1)CCC(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)CN1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C13H22N4O3/c1-15(5-2-4-14)12(18)11-17-9-7-16(8-10-17)6-3-13(19)20/h2-3,5-11H2,1H3,(H,19,20)