[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H28N2O4S2 MolecularWeight: 376.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCCC1CCSS1

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCC[C@H]1CCSS1

InChI

InChI=1S/C16H28N2O4S2/c1-11(14(20)17-15(21)18-16(2,3)4)22-13(19)8-6-5-7-12-9-10-23-24-12/h11-12H,5-10H2,1-4H3,(H2,17,18,20,21)/t11-,12+/m1/s1