[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [(1S)-2-amino-1-methyl-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 [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (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 [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S/c1-9(15(19)24-10(2)14(16)18)17-25(20,21)11-4-5-12-13(8-11)23-7-3-6-22-12/h4-5,8-10,17H,3,6-7H2,1-2H3,(H2,16,18)/t9-,10-/m0/s1