[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H27N3O6S/c1-4-14(3)20-19(25)21-17(23)12-28-18(24)16-6-5-11-22(16)29(26,27)15-9-7-13(2)8-10-15/h7-10,14,16H,4-6,11-12H2,1-3H3,(H2,20,21,23,25)/t14-,16-/m0/s1