[2-oxidanylidene-2-(propylamino)ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [2-keto-2-(propylamino)ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCNC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H26N2O7S/c1-4-7-19-16(21)11-27-18(22)17(12(2)3)20-28(23,24)13-5-6-14-15(10-13)26-9-8-25-14/h5-6,10,12,17,20H,4,7-9,11H2,1-3H3,(H,19,21)/t17-/m0/s1