4-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]butanoic acid

Systemtic Name: 4-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]butanoic acid Openeye Name: 4-[3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoylamino]butanoic acid CAS Name: 4-[[3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoylamino]butanoic acid Traditional Name: 4-[3-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoylamino]butyric acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)NCCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)NCCCC(=O)O

InChI

InChI=1S/C18H27N3O4/c22-16(19-10-5-6-18(24)25)9-13-21-14-15(7-8-17(21)23)20-11-3-1-2-4-12-20/h7-8,14H,1-6,9-13H2,(H,19,22)(H,24,25)