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

Systemtic Name: 3-[[(2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]propanoic acid Openeye Name: 3-[[(2R)-2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoyl]amino]propanoic acid CAS Name: 3-[[(2R)-2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[(2R)-2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoyl]amino]propanoic acid Traditional Name: 3-[[(2R)-2-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoyl]amino]propionic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NCCC(=O)O)N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C17H25N3O4/c1-13(17(24)18-9-8-16(22)23)20-12-14(6-7-15(20)21)19-10-4-2-3-5-11-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,18,24)(H,22,23)/t13-/m1/s1