[(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)OC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C19H28N4O5S/c1-13(2)19(4,12-20)21-17(24)14(3)28-18(25)16-10-15(11-22(16)5)29(26,27)23-8-6-7-9-23/h10-11,13-14H,6-9H2,1-5H3,(H,21,24)/t14-,19+/m0/s1