tert-butyl (2S)-5-(1,3-dinitrooxypropan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2S)-5-(1,3-dinitrooxypropan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-5-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-5-(1,3-dinitrooxypropan-2-ylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-(1,3-dinitrooxypropan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-keto-5-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]amino]valeric acid tert-butyl ester Formula: C17H30N4O11 MolecularWeight: 466.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NC(CO[N+](=O)[O-])CO[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)NC(CO[N+](=O)[O-])CO[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H30N4O11/c1-16(2,3)31-14(23)12(19-15(24)32-17(4,5)6)7-8-13(22)18-11(9-29-20(25)26)10-30-21(27)28/h11-12H,7-10H2,1-6H3,(H,18,22)(H,19,24)/t12-/m0/s1