3-[[1-[3-[(phenylmethyl)carbamoylamino]phenyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[3-[(phenylmethyl)carbamoylamino]phenyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-4-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]isonipecotoyl]amino]propionic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c28-21(29)9-12-24-22(30)18-10-13-27(14-11-18)20-8-4-7-19(15-20)26-23(31)25-16-17-5-2-1-3-6-17/h1-8,15,18H,9-14,16H2,(H,24,30)(H,28,29)(H2,25,26,31)