3-nitrooxypropyl 2-azanyl-3-sulfanyl-propanoate

Systemtic Name: 3-nitrooxypropyl 2-azanyl-3-sulfanyl-propanoate Openeye Name: 3-nitrooxypropyl 2-amino-3-sulfanyl-propanoate CAS Name: 2-amino-3-mercaptopropanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 2-amino-3-sulfanylpropanoate Traditional Name: 2-amino-3-mercapto-propionic acid 3-nitrooxypropyl ester Formula: C6H12N2O5S MolecularWeight: 224.23488

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Descriptors Computed from Structure

Canonical SMILES:

C(COC(=O)C(CS)N)CO[N+](=O)[O-]

Isomeric SMILES

C(COC(=O)C(CS)N)CO[N+](=O)[O-]

InChI

InChI=1S/C6H12N2O5S/c7-5(4-14)6(9)12-2-1-3-13-8(10)11/h5,14H,1-4,7H2