[(2R)-oxolan-2-yl]methyl 2-[(2R)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: [(2R)-oxolan-2-yl]methyl 2-[(2R)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: [(2R)-tetrahydrofuran-2-yl]methyl 2-[(2R)-1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid [(2R)-2-oxolanyl]methyl ester IUPAC Name: [(2R)-oxolan-2-yl]methyl 2-[(2R)-1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid [(2R)-tetrahydrofuran-2-yl]methyl ester Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2CCCO2

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]2CCCO2

InChI

InChI=1S/C18H29N3O5S/c1-2-3-4-7-15(22)20-18(27)21-9-8-19-17(24)14(21)11-16(23)26-12-13-6-5-10-25-13/h13-14H,2-12H2,1H3,(H,19,24)(H,20,22,27)/t13-,14-/m1/s1