[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butyric acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O7S2 MolecularWeight: 418.48508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H22N2O7S2/c1-10(15(17)19)25-16(20)12(5-8-26-2)18-27(21,22)11-3-4-13-14(9-11)24-7-6-23-13/h3-4,9-10,12,18H,5-8H2,1-2H3,(H2,17,19)/t10-,12+/m1/s1