4-methylsulfonyl-2-(2-pyrazol-1-ylethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(2-pyrazol-1-ylethanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[(2-pyrazol-1-ylacetyl)amino]butyric acid Formula: C10H15N3O5S MolecularWeight: 289.3082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CN1C=CC=N1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CN1C=CC=N1

InChI

InChI=1S/C10H15N3O5S/c1-19(17,18)6-3-8(10(15)16)12-9(14)7-13-5-2-4-11-13/h2,4-5,8H,3,6-7H2,1H3,(H,12,14)(H,15,16)