2-[[(2R)-2-(pyridin-3-ylcarbonylamino)-3-sulfanyl-propanoyl]amino]ethyl nitrate

Systemtic Name: 2-[[(2R)-2-(pyridin-3-ylcarbonylamino)-3-sulfanyl-propanoyl]amino]ethyl nitrate Openeye Name: 2-[[(2R)-2-(pyridine-3-carbonylamino)-3-sulfanyl-propanoyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[(2R)-3-mercapto-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]ethyl ester IUPAC Name: 2-[[(2R)-2-(pyridine-3-carbonylamino)-3-sulfanylpropanoyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[(2R)-3-mercapto-2-nicotinamido-propanoyl]amino]ethyl ester Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(CS)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N[C@@H](CS)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O5S/c16-10(8-2-1-3-12-6-8)14-9(7-21)11(17)13-4-5-20-15(18)19/h1-3,6,9,21H,4-5,7H2,(H,13,17)(H,14,16)/t9-/m0/s1