(2S)-4-methylsulfonyl-2-(1H-pyrrol-2-ylcarbonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(1H-pyrrol-2-ylcarbonylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(1H-pyrrole-2-carbonylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(1H-pyrrole-2-carbonylamino)butanoate Traditional Name: (2S)-4-mesyl-2-(1H-pyrrole-2-carbonylamino)butyrate Formula: C10H13N2O5S- MolecularWeight: 273.28562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC=CN1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC=CN1

InChI

InChI=1S/C10H14N2O5S/c1-18(16,17)6-4-8(10(14)15)12-9(13)7-3-2-5-11-7/h2-3,5,8,11H,4,6H2,1H3,(H,12,13)(H,14,15)/p-1/t8-/m0/s1