3-(1H-imidazol-5-yl)-2-[3-(pyridin-3-ylcarbonylamino)propanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[3-(pyridin-3-ylcarbonylamino)propanoylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[3-(pyridine-3-carbonylamino)propanoylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-3-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[3-(pyridine-3-carbonylamino)propanoylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(3-nicotinamidopropanoylamino)propionic acid Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C15H17N5O4/c21-13(3-5-18-14(22)10-2-1-4-16-7-10)20-12(15(23)24)6-11-8-17-9-19-11/h1-2,4,7-9,12H,3,5-6H2,(H,17,19)(H,18,22)(H,20,21)(H,23,24)