(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: (2-amino-2-oxo-1-phenyl-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-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (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-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C1=CC=CC=C1)C(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)OC(C1=CC=CC=C1)C(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22N2O7S/c1-13(20(24)29-18(19(21)23)14-6-3-2-4-7-14)22-30(25,26)15-8-9-16-17(12-15)28-11-5-10-27-16/h2-4,6-9,12-13,18,22H,5,10-11H2,1H3,(H2,21,23)/t13-,18?/m0/s1