3-[[3-(2-piperazin-1-ylethanoylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-(2-piperazin-1-ylethanoylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[(2-piperazin-1-ylacetyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[[1-oxo-2-(1-piperazinyl)ethyl]amino]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-[(2-piperazin-1-ylacetyl)amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[(2-piperazinoacetyl)amino]benzoyl]amino]propionic acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O

Isomeric SMILES

C1CN(CCN1)CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H22N4O4/c21-14(11-20-8-6-17-7-9-20)19-13-3-1-2-12(10-13)16(24)18-5-4-15(22)23/h1-3,10,17H,4-9,11H2,(H,18,24)(H,19,21)(H,22,23)