[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H20N2O6S/c1-3-10-18-15(20)12-25-17(22)14(9-11-26(2,23)24)19-16(21)13-7-5-4-6-8-13/h1,4-8,14H,9-12H2,2H3,(H,18,20)(H,19,21)/t14-/m0/s1