(2S)-2-azanyl-5-(1,3-dinitrooxypropan-2-yloxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-(1,3-dinitrooxypropan-2-yloxy)-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[2-nitrooxy-1-(nitrooxymethyl)ethoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(1,3-dinitrooxypropan-2-yloxy)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(1,3-dinitrooxypropan-2-yloxy)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[2-nitrooxy-1-(nitrooxymethyl)ethoxy]valeric acid Formula: C8H13N3O10 MolecularWeight: 311.20292

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C(C(=O)O)N

Isomeric SMILES

C(CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])[C@@H](C(=O)O)N

InChI

InChI=1S/C8H13N3O10/c9-6(8(13)14)1-2-7(12)21-5(3-19-10(15)16)4-20-11(17)18/h5-6H,1-4,9H2,(H,13,14)/t6-/m0/s1