(2S)-2-azanyl-5-[(2R)-2,3-dinitrooxypropoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(2R)-2,3-dinitrooxypropoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[(2R)-2,3-dinitrooxypropoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[(2R)-2,3-dinitrooxypropoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[(2R)-2,3-dinitrooxypropoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[(2R)-2,3-dinitrooxypropoxy]-5-keto-valeric acid Formula: C8H13N3O10 MolecularWeight: 311.20292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O10/c9-6(8(13)14)1-2-7(12)19-3-5(21-11(17)18)4-20-10(15)16/h5-6H,1-4,9H2,(H,13,14)/t5-,6+/m1/s1