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

Systemtic Name: (2S)-2-azanyl-5-[3-nitrooxy-2-(nitrooxymethyl)-2-(2-oxidanylidenepropanoylamino)propoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[3-nitrooxy-2-(nitrooxymethyl)-2-(2-oxopropanoylamino)propoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[2-(1,2-dioxopropylamino)-3-nitrooxy-2-(nitrooxymethyl)propoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[3-nitrooxy-2-(nitrooxymethyl)-2-(2-oxopropanoylamino)propoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[3-nitrooxy-2-(nitrooxymethyl)-2-pyruvamido-propoxy]valeric acid Formula: C12H18N4O12 MolecularWeight: 410.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O12/c1-7(17)10(19)14-12(5-27-15(22)23,6-28-16(24)25)4-26-9(18)3-2-8(13)11(20)21/h8H,2-6,13H2,1H3,(H,14,19)(H,20,21)/t8-/m0/s1