3-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]propanoate

Systemtic Name: 3-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]propanoate Openeye Name: 3-[3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoylamino]propanoate CAS Name: 3-[[3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]propanoate IUPAC Name: 3-[3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoylamino]propanoate Traditional Name: 3-[3-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoylamino]propionate Formula: C17H24N3O4- MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)NCCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C17H25N3O4/c21-15(18-9-7-17(23)24)8-12-20-13-14(5-6-16(20)22)19-10-3-1-2-4-11-19/h5-6,13H,1-4,7-12H2,(H,18,21)(H,23,24)/p-1