3-[[3-[2-(2-oxidanylidenepiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[2-(2-oxidanylidenepiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[[2-(2-oxopiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[[1-oxo-2-(2-oxo-1-piperazinyl)ethyl]amino]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-[[2-(2-oxopiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[[2-(2-ketopiperazino)acetyl]amino]benzoyl]amino]propionic acid Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1)CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1)CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H20N4O5/c21-13(10-20-7-6-17-9-14(20)22)19-12-3-1-2-11(8-12)16(25)18-5-4-15(23)24/h1-3,8,17H,4-7,9-10H2,(H,18,25)(H,19,21)(H,23,24)