3-[3-[3-(6-azanylpyridin-2-yl)propyl]-2-oxidanylidene-imidazolidin-1-yl]-3-(5-ethoxypyridin-3-yl)propanoic acid

Systemtic Name: 3-[3-[3-(6-azanylpyridin-2-yl)propyl]-2-oxidanylidene-imidazolidin-1-yl]-3-(5-ethoxypyridin-3-yl)propanoic acid Openeye Name: 3-[3-[3-(6-amino-2-pyridyl)propyl]-2-oxo-imidazolidin-1-yl]-3-(5-ethoxy-3-pyridyl)propanoic acid CAS Name: 3-[3-[3-(6-amino-2-pyridinyl)propyl]-2-oxo-1-imidazolidinyl]-3-(5-ethoxy-3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[3-(6-aminopyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(5-ethoxypyridin-3-yl)propanoic acid Traditional Name: 3-[3-[3-(6-amino-2-pyridyl)propyl]-2-keto-imidazolidin-1-yl]-3-(5-ethoxy-3-pyridyl)propionic acid Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=CC(=C1)C(CC(=O)O)N2CCN(C2=O)CCCC3=NC(=CC=C3)N

Isomeric SMILES

CCOC1=CN=CC(=C1)C(CC(=O)O)N2CCN(C2=O)CCCC3=NC(=CC=C3)N

InChI

InChI=1S/C21H27N5O4/c1-2-30-17-11-15(13-23-14-17)18(12-20(27)28)26-10-9-25(21(26)29)8-4-6-16-5-3-7-19(22)24-16/h3,5,7,11,13-14,18H,2,4,6,8-10,12H2,1H3,(H2,22,24)(H,27,28)