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

Systemtic Name: 3-[[2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2-methyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-2-methyl-propanoyl]amino]propanoic acid CAS Name: 3-[[2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-2-methyl-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-2-methylpropanoyl]amino]propanoic acid Traditional Name: 3-[[2-[5-(azepan-1-yl)-2-keto-1-pyridyl]-2-methyl-propanoyl]amino]propionic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCC(=O)O)N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C(=O)NCCC(=O)O)N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O4/c1-18(2,17(25)19-10-9-16(23)24)21-13-14(7-8-15(21)22)20-11-5-3-4-6-12-20/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,25)(H,23,24)