[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(1,5-dimethylhexylamino)-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-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-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-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H34N2O7S MolecularWeight: 470.57956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C(C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O7S/c1-15(2)7-5-8-16(3)23-21(25)14-31-22(26)17(4)24-32(27,28)18-9-10-19-20(13-18)30-12-6-11-29-19/h9-10,13,15-17,24H,5-8,11-12,14H2,1-4H3,(H,23,25)/t16?,17-/m0/s1