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

Systemtic Name: (2S)-2-azanyl-5-[2-nitro-2-(nitrooxymethyl)-3-(2-oxidanylidenepropanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[2-nitro-2-(nitrooxymethyl)-3-(2-oxopropanoyloxy)propoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[2-(1,2-dioxopropoxymethyl)-2-nitro-3-nitrooxypropoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[2-nitro-2-(nitrooxymethyl)-3-(2-oxopropanoyloxy)propoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[2-nitro-2-(nitrooxymethyl)-3-pyruvoyloxy-propoxy]valeric acid Formula: C12H17N3O12 MolecularWeight: 395.27628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O12/c1-7(16)11(20)26-5-12(14(21)22,6-27-15(23)24)4-25-9(17)3-2-8(13)10(18)19/h8H,2-6,13H2,1H3,(H,18,19)/t8-,12?/m0/s1