[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2S)-3-methyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thienylsulfonylamino)butyric acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(C)(C#N)C(C)C)NS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)NS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C17H25N3O5S2/c1-11(2)15(20-27(23,24)14-7-6-8-26-14)16(22)25-9-13(21)19-17(5,10-18)12(3)4/h6-8,11-12,15,20H,9H2,1-5H3,(H,19,21)/t15-,17+/m0/s1