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

Systemtic Name: (2S)-2-azanyl-5-[3-nitrooxy-2-(2-oxidanylidenepropanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[3-nitrooxy-2-(2-oxopropanoyloxy)propoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[2-(1,2-dioxopropoxy)-3-nitrooxypropoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[3-nitrooxy-2-(2-oxopropanoyloxy)propoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(3-nitrooxy-2-pyruvoyloxy-propoxy)valeric acid Formula: C11H16N2O10 MolecularWeight: 336.25214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O10/c1-6(14)11(18)23-7(5-22-13(19)20)4-21-9(15)3-2-8(12)10(16)17/h7-8H,2-5,12H2,1H3,(H,16,17)/t7?,8-/m0/s1