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

Systemtic Name: (2S)-4-methylsulfonyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-4-mesyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butyrate Formula: C9H13N4O5S- MolecularWeight: 289.28832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O5S/c1-19(17,18)3-2-7(9(15)16)12-8(14)4-13-6-10-5-11-13/h5-7H,2-4H2,1H3,(H,12,14)(H,15,16)/p-1/t7-/m0/s1