(2S)-2-[3-(furan-2-yl)propanoylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[3-(furan-2-yl)propanoylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[3-(2-furyl)propanoylamino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[3-(2-furanyl)-1-oxopropyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[3-(furan-2-yl)propanoylamino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[3-(2-furyl)propanoylamino]-4-mesyl-butyrate Formula: C12H16NO6S- MolecularWeight: 302.32354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CCC1=CC=CO1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CCC1=CC=CO1

InChI

InChI=1S/C12H17NO6S/c1-20(17,18)8-6-10(12(15)16)13-11(14)5-4-9-3-2-7-19-9/h2-3,7,10H,4-6,8H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m0/s1