(2S)-2-azanyl-5-[2-(nitrooxymethyl)-3-(2-oxidanylidenepropanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[2-(nitrooxymethyl)-3-(2-oxidanylidenepropanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[2-(nitrooxymethyl)-3-(2-oxopropanoyloxy)propoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[2-(1,2-dioxopropoxymethyl)-3-nitrooxypropoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[2-(nitrooxymethyl)-3-(2-oxopropanoyloxy)propoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[2-(nitrooxymethyl)-3-pyruvoyloxy-propoxy]valeric acid Formula: C12H18N2O10 MolecularWeight: 350.27872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O10/c1-7(15)12(19)23-5-8(6-24-14(20)21)4-22-10(16)3-2-9(13)11(17)18/h8-9H,2-6,13H2,1H3,(H,17,18)/t8?,9-/m0/s1