[(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(1S)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H27N3O6S MolecularWeight: 389.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H27N3O6S/c1-11(14(20)18-16(22)17-13-5-3-4-6-13)25-15(21)12-7-9-19(10-8-12)26(2,23)24/h11-13H,3-10H2,1-2H3,(H2,17,18,20,22)/t11-/m0/s1