cesium (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate

Systemtic Name: cesium (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate Openeye Name: cesium (2S)-6-(tert-butoxycarbonylamino)-2-[(4-nitrophenyl)sulfonylamino]hexanoate CAS Name: cesium (2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate IUPAC Name: cesium (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate Traditional Name: cesium (2S)-6-(tert-butoxycarbonylamino)-2-(nosylamino)hexanoate Formula: C17H24CsN3O8S MolecularWeight: 563.35821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cs+]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cs+]

InChI

InChI=1S/C17H25N3O8S.Cs/c1-17(2,3)28-16(23)18-11-5-4-6-14(15(21)22)19-29(26,27)13-9-7-12(8-10-13)20(24)25;/h7-10,14,19H,4-6,11H2,1-3H3,(H,18,23)(H,21,22);/q;+1/p-1/t14-;/m0./s1