6-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]hexanoic acid

Systemtic Name: 6-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]hexanoic acid Openeye Name: 6-[3-[(5-nitro-2-pyridyl)sulfanyl]propanoylamino]hexanoic acid CAS Name: 6-[[3-[(5-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]hexanoic acid Traditional Name: 6-[3-[(5-nitro-2-pyridyl)thio]propanoylamino]hexanoic acid Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])SCCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])SCCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H19N3O5S/c18-12(15-8-3-1-2-4-14(19)20)7-9-23-13-6-5-11(10-16-13)17(21)22/h5-6,10H,1-4,7-9H2,(H,15,18)(H,19,20)