(2S)-4-methylsulfonyl-2-(2-pyridin-4-ylethanoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(2-pyridin-4-ylethanoylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[[2-(4-pyridyl)acetyl]amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[(1-oxo-2-pyridin-4-ylethyl)amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(2-pyridin-4-ylacetyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[[2-(4-pyridyl)acetyl]amino]butyrate Formula: C12H15N2O5S- MolecularWeight: 299.3229

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CC1=CC=NC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CC1=CC=NC=C1

InChI

InChI=1S/C12H16N2O5S/c1-20(18,19)7-4-10(12(16)17)14-11(15)8-9-2-5-13-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1