4-methylsulfonyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Traditional Name: 4-mesyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butyric acid Formula: C10H16N4O5S MolecularWeight: 304.32284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCS(=O)(=O)C)C(=O)O)N1C=NC=N1

Isomeric SMILES

CC(C(=O)NC(CCS(=O)(=O)C)C(=O)O)N1C=NC=N1

InChI

InChI=1S/C10H16N4O5S/c1-7(14-6-11-5-12-14)9(15)13-8(10(16)17)3-4-20(2,18)19/h5-8H,3-4H2,1-2H3,(H,13,15)(H,16,17)