3-[4-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(allylcarbamoylamino)-2-oxo-ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(allylcarbamoylamino)-2-keto-ethyl]piperazino]propionic acid Formula: C13H22N4O4 MolecularWeight: 298.33818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CN1CCN(CC1)CCC(=O)O

Isomeric SMILES

C=CCNC(=O)NC(=O)CN1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C13H22N4O4/c1-2-4-14-13(21)15-11(18)10-17-8-6-16(7-9-17)5-3-12(19)20/h2H,1,3-10H2,(H,19,20)(H2,14,15,18,21)