(2S)-4-methylsulfonyl-2-(prop-2-ynoylamino)butanoic acid

Systemtic Name: (2S)-4-methylsulfonyl-2-(prop-2-ynoylamino)butanoic acid Openeye Name: (2S)-4-methylsulfonyl-2-(prop-2-ynoylamino)butanoic acid CAS Name: (2S)-4-methylsulfonyl-2-(1-oxoprop-2-ynylamino)butanoic acid IUPAC Name: (2S)-4-methylsulfonyl-2-(prop-2-ynoylamino)butanoic acid Traditional Name: (2S)-4-mesyl-2-(propioloylamino)butyric acid Formula: C8H11NO5S MolecularWeight: 233.24164

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C#C

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO5S/c1-3-7(10)9-6(8(11)12)4-5-15(2,13)14/h1,6H,4-5H2,2H3,(H,9,10)(H,11,12)/t6-/m0/s1