Products 1210945-69-9

CAS 1210945-69-9 appears in our catalog under these names: EG 00229 Trifluoroacetic Acid Salt, EG00229/ 97.2% (existing batch purity), EG00229, EG 00229 trifluoroacetate, EG00229 trifluoroacetate 99%. Offered by: TRC, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: 500mg, 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid (CAS 1210945-69-9) is a chemical compound with the molecular formula C19H20F3N7O7S3 and a molecular weight of 611.6 g/mol. IUPAC name: (2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid. InChIKey: ZYQBITUOSRZDTG-MERQFXBCSA-N.

Identity
Molecular formulaC19H20F3N7O7S3
Molecular weight611.6 g/mol
IUPAC name(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
InChIKeyZYQBITUOSRZDTG-MERQFXBCSA-N
SMILESC1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)