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

Systemtic Name: 4-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-(2-pyridylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]butanoic acid CAS Name: 2-[[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]amino]-4-(2-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: 4-(2-pyridylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]butyric acid Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3/c30-23(29-22(24(31)32)11-14-25-16-20-5-1-3-12-27-20)19-9-7-18(8-10-19)15-26-17-21-6-2-4-13-28-21/h1-10,12-13,22,25-26H,11,14-17H2,(H,29,30)(H,31,32)