(3R,4R)-4-oxidanyl-3-(pyridin-4-ylcarbonylamino)azepane-1-carboxylic acid

Systemtic Name: (3R,4R)-4-oxidanyl-3-(pyridin-4-ylcarbonylamino)azepane-1-carboxylic acid Openeye Name: (3R,4R)-4-hydroxy-3-(pyridine-4-carbonylamino)azepane-1-carboxylic acid CAS Name: (3R,4R)-4-hydroxy-3-[[oxo(pyridin-4-yl)methyl]amino]-1-azepanecarboxylic acid IUPAC Name: (3R,4R)-4-hydroxy-3-(pyridine-4-carbonylamino)azepane-1-carboxylic acid Traditional Name: (3R,4R)-4-hydroxy-3-isonicotinamido-azepane-1-carboxylic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H]([C@@H](CN(C1)C(=O)O)NC(=O)C2=CC=NC=C2)O

InChI

InChI=1S/C13H17N3O4/c17-11-2-1-7-16(13(19)20)8-10(11)15-12(18)9-3-5-14-6-4-9/h3-6,10-11,17H,1-2,7-8H2,(H,15,18)(H,19,20)/t10-,11-/m1/s1