(2S)-4-methylsulfonyl-2-(2-pyridin-2-ylethoxycarbonylamino)butanoic acid

Systemtic Name: (2S)-4-methylsulfonyl-2-(2-pyridin-2-ylethoxycarbonylamino)butanoic acid Openeye Name: (2S)-4-methylsulfonyl-2-[2-(2-pyridyl)ethoxycarbonylamino]butanoic acid CAS Name: (2S)-4-methylsulfonyl-2-[[oxo-[2-(2-pyridinyl)ethoxy]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfonyl-2-(2-pyridin-2-ylethoxycarbonylamino)butanoic acid Traditional Name: (2S)-4-mesyl-2-[2-(2-pyridyl)ethoxycarbonylamino]butyric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)OCCC1=CC=CC=N1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)OCCC1=CC=CC=N1

InChI

InChI=1S/C13H18N2O6S/c1-22(19,20)9-6-11(12(16)17)15-13(18)21-8-5-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1