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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-oxo-2-(propylamino)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-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (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-keto-2-(propylamino)ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C(C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H24N2O7S/c1-3-7-18-16(20)11-26-17(21)12(2)19-27(22,23)13-5-6-14-15(10-13)25-9-4-8-24-14/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H,18,20)/t12-/m0/s1