(2S)-2-azaniumyl-3-[2-[azanyl-(phosphonatoamino)methylidene]azaniumylethoxy-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[2-[azanyl-(phosphonatoamino)methylidene]azaniumylethoxy-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: (2S)-3-[2-[amino-(phosphonatoamino)methylene]ammonioethoxy-oxido-phosphoryl]oxy-2-azaniumyl-propanoate CAS Name: (2S)-3-[2-[amino-(phosphonatoamino)methylidene]ammonioethoxy-oxidophosphoryl]oxy-2-ammoniopropanoate IUPAC Name: (2S)-3-[2-[amino-(phosphonatoamino)methylidene]azaniumylethoxy-oxidophosphoryl]oxy-2-azaniumylpropanoate Traditional Name: (2S)-3-[2-[amino-(phosphonatoamino)methylene]ammonioethoxy-oxido-phosphoryl]oxy-2-ammonio-propionate Formula: C6H14N4O9P2-2 MolecularWeight: 348.144282

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])[NH+]=C(N)NP(=O)([O-])[O-]

Isomeric SMILES

C(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])[NH+]=C(N)NP(=O)([O-])[O-]

InChI

InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/p-2/t4-/m0/s1