(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfanylamino]hexanoate

Systemtic Name: (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfanylamino]hexanoate Openeye Name: (2S)-6-(tert-butoxycarbonylamino)-2-[(2-nitrophenyl)sulfanylamino]hexanoate CAS Name: (2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(2-nitrophenyl)thio]amino]hexanoate IUPAC Name: (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfanylamino]hexanoate Traditional Name: (2S)-6-(tert-butoxycarbonylamino)-2-[[(2-nitrophenyl)thio]amino]hexanoate Formula: C17H24N3O6S- MolecularWeight: 398.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)[O-])NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)[O-])NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-17(2,3)26-16(23)18-11-7-6-8-12(15(21)22)19-27-14-10-5-4-9-13(14)20(24)25/h4-5,9-10,12,19H,6-8,11H2,1-3H3,(H,18,23)(H,21,22)/p-1/t12-/m0/s1