6-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]hexanoate

Systemtic Name: 6-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]hexanoate Openeye Name: 6-[[(2S)-2-[(5-nitro-2-pyridyl)sulfanyl]propanoyl]amino]hexanoate CAS Name: 6-[[(2S)-2-[(5-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]hexanoate IUPAC Name: 6-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-[(5-nitro-2-pyridyl)thio]propanoyl]amino]hexanoate Formula: C14H18N3O5S- MolecularWeight: 340.37482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCC(=O)[O-])SC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCCCCC(=O)[O-])SC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-10(14(20)15-8-4-2-3-5-13(18)19)23-12-7-6-11(9-16-12)17(21)22/h6-7,9-10H,2-5,8H2,1H3,(H,15,20)(H,18,19)/p-1/t10-/m0/s1