sodium 2-azanyl-3-(2-oxidanyl-3-phosphonooxy-propyl)sulfanyl-propanoate

Systemtic Name: sodium 2-azanyl-3-(2-oxidanyl-3-phosphonooxy-propyl)sulfanyl-propanoate Openeye Name: sodium 2-amino-3-(2-hydroxy-3-phosphonooxy-propyl)sulfanyl-propanoate CAS Name: sodium 2-amino-3-[(2-hydroxy-3-phosphonooxypropyl)thio]propanoate IUPAC Name: sodium 2-amino-3-(2-hydroxy-3-phosphonooxypropyl)sulfanylpropanoate Traditional Name: sodium 2-amino-3-[(2-hydroxy-3-phosphonooxy-propyl)thio]propionate Formula: C6H13NNaO7PS MolecularWeight: 297.198451

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CSCC(C(=O)[O-])N)O)OP(=O)(O)O.[Na+]

Isomeric SMILES

C(C(CSCC(C(=O)[O-])N)O)OP(=O)(O)O.[Na+]

InChI

InChI=1S/C6H14NO7PS.Na/c7-5(6(9)10)3-16-2-4(8)1-14-15(11,12)13;/h4-5,8H,1-3,7H2,(H,9,10)(H2,11,12,13);/q;+1/p-1