4-azanyl-3-(pyridin-4-ylcarbonylamino)azepane-1-carboxylic acid

Systemtic Name: 4-azanyl-3-(pyridin-4-ylcarbonylamino)azepane-1-carboxylic acid Openeye Name: 4-amino-3-(pyridine-4-carbonylamino)azepane-1-carboxylic acid CAS Name: 4-amino-3-[[oxo(pyridin-4-yl)methyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-amino-3-(pyridine-4-carbonylamino)azepane-1-carboxylic acid Traditional Name: 4-amino-3-isonicotinamido-azepane-1-carboxylic acid Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=NC=C2)N

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=NC=C2)N

InChI

InChI=1S/C13H18N4O3/c14-10-2-1-7-17(13(19)20)8-11(10)16-12(18)9-3-5-15-6-4-9/h3-6,10-11H,1-2,7-8,14H2,(H,16,18)(H,19,20)