1-[3,5-bis(azanyl)pyridin-2-yl]-6-methoxy-azepane-2-carboxylic acid

Systemtic Name: 1-[3,5-bis(azanyl)pyridin-2-yl]-6-methoxy-azepane-2-carboxylic acid Openeye Name: 1-(3,5-diamino-2-pyridyl)-6-methoxy-azepane-2-carboxylic acid CAS Name: 1-(3,5-diamino-2-pyridinyl)-6-methoxy-2-azepanecarboxylic acid IUPAC Name: 1-(3,5-diaminopyridin-2-yl)-6-methoxyazepane-2-carboxylic acid Traditional Name: 1-(3,5-diamino-2-pyridyl)-6-methoxy-azepane-2-carboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC(N(C1)C2=C(C=C(C=N2)N)N)C(=O)O

Isomeric SMILES

COC1CCCC(N(C1)C2=C(C=C(C=N2)N)N)C(=O)O

InChI

InChI=1S/C13H20N4O3/c1-20-9-3-2-4-11(13(18)19)17(7-9)12-10(15)5-8(14)6-16-12/h5-6,9,11H,2-4,7,14-15H2,1H3,(H,18,19)