tripotassium (2S)-2-benzamido-3-phosphonatooxy-propanoate

Systemtic Name: tripotassium (2S)-2-benzamido-3-phosphonatooxy-propanoate Openeye Name: tripotassium (2S)-2-benzamido-3-phosphonatooxy-propanoate CAS Name: tripotassium (2S)-2-benzamido-3-phosphonatooxypropanoate IUPAC Name: tripotassium (2S)-2-benzamido-3-phosphonatooxypropanoate Traditional Name: tripotassium (2S)-2-benzamido-3-phosphato-propionate Formula: C10H9K3NO7P MolecularWeight: 403.449621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(COP(=O)([O-])[O-])C(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](COP(=O)([O-])[O-])C(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C10H12NO7P.3K/c12-9(7-4-2-1-3-5-7)11-8(10(13)14)6-18-19(15,16)17;;;/h1-5,8H,6H2,(H,11,12)(H,13,14)(H2,15,16,17);;;/q;3*+1/p-3/t8-;;;/m0.../s1