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

Systemtic Name: (2S)-2-azanyl-5-[3-nitrooxy-2-(2-oxidanylidenepropanoylamino)propoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[3-nitrooxy-2-(2-oxopropanoylamino)propoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[2-(1,2-dioxopropylamino)-3-nitrooxypropoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[3-nitrooxy-2-(2-oxopropanoylamino)propoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(3-nitrooxy-2-pyruvamido-propoxy)valeric acid Formula: C11H17N3O9 MolecularWeight: 335.26738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O9/c1-6(15)10(17)13-7(5-23-14(20)21)4-22-9(16)3-2-8(12)11(18)19/h7-8H,2-5,12H2,1H3,(H,13,17)(H,18,19)/t7?,8-/m0/s1