(2S)-4-methylsulfonyl-2-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-4-mesyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butyrate Formula: C8H12N5O5S- MolecularWeight: 290.27638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CN1C=NN=N1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CN1C=NN=N1

InChI

InChI=1S/C8H13N5O5S/c1-19(17,18)3-2-6(8(15)16)10-7(14)4-13-5-9-11-12-13/h5-6H,2-4H2,1H3,(H,10,14)(H,15,16)/p-1/t6-/m0/s1