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

Systemtic Name: (2S)-2-azanyl-5-[2-methyl-2-(nitrooxymethyl)-3-(2-oxidanylidenepropanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[2-methyl-2-(nitrooxymethyl)-3-(2-oxopropanoyloxy)propoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[2-(1,2-dioxopropoxymethyl)-2-methyl-3-nitrooxypropoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[2-methyl-2-(nitrooxymethyl)-3-(2-oxopropanoyloxy)propoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[2-methyl-2-(nitrooxymethyl)-3-pyruvoyloxy-propoxy]valeric acid Formula: C13H20N2O10 MolecularWeight: 364.3053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O10/c1-8(16)12(20)24-6-13(2,7-25-15(21)22)5-23-10(17)4-3-9(14)11(18)19/h9H,3-7,14H2,1-2H3,(H,18,19)/t9-,13?/m0/s1