[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(C)(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(C)(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H26N2O7S/c1-12(17(22)27-11-16(21)19-18(2,3)4)20-28(23,24)13-6-7-14-15(10-13)26-9-5-8-25-14/h6-7,10,12,20H,5,8-9,11H2,1-4H3,(H,19,21)/t12-/m0/s1