3-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoyl-methyl-amino]propanoate

Systemtic Name: 3-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoyl-methyl-amino]propanoate Openeye Name: 3-[3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoyl-methyl-amino]propanoate CAS Name: 3-[[3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]-methylamino]propanoate IUPAC Name: 3-[3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoyl-methylamino]propanoate Traditional Name: 3-[3-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoyl-methyl-amino]propionate Formula: C18H26N3O4- MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)[O-])C(=O)CCN1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CN(CCC(=O)[O-])C(=O)CCN1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O4/c1-19(12-9-18(24)25)16(22)8-13-21-14-15(6-7-17(21)23)20-10-4-2-3-5-11-20/h6-7,14H,2-5,8-13H2,1H3,(H,24,25)/p-1