3-azanyl-2-(propan-2-ylsulfonylamino)propanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanyl-2-(propan-2-ylsulfonylamino)propanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-amino-2-(isopropylsulfonylamino)propanoate; 2,2,2-trifluoroacetate CAS Name: 3-amino-2-(propan-2-ylsulfonylamino)propanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-amino-2-(propan-2-ylsulfonylamino)propanoate; 2,2,2-trifluoroacetate Traditional Name: 3-amino-2-(isopropylsulfonylamino)propionate; 2,2,2-trifluoroacetate Formula: C8H13F3N2O6S-2 MolecularWeight: 322.25883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C6H14N2O4S.C2HF3O2/c1-4(2)13(11,12)8-5(3-7)6(9)10;3-2(4,5)1(6)7/h4-5,8H,3,7H2,1-2H3,(H,9,10);(H,6,7)/p-2