3-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-(2-pyridylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]amino]-3-(2-pyridinylmethylamino)propanoic acid IUPAC Name: 3-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-(2-pyridylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]propionic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CNCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CNCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C23H25N5O3/c29-22(28-21(23(30)31)16-25-15-20-6-2-4-12-27-20)18-9-7-17(8-10-18)13-24-14-19-5-1-3-11-26-19/h1-12,21,24-25H,13-16H2,(H,28,29)(H,30,31)