(E)-3-diazo-1-diazonio-prop-1-en-2-olate; 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: (E)-3-diazo-1-diazonio-prop-1-en-2-olate; 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-methyl-pentanoic acid; (E)-3-diazo-1-diazonio-prop-1-en-2-olate CAS Name: (E)-3-diazo-1-diazonio-1-propen-2-olate; 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (E)-3-diazo-1-diazonioprop-1-en-2-olate; 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-methyl-valeric acid; (E)-3-diazo-1-diazonio-prop-1-en-2-olate Formula: C14H23N5O5 MolecularWeight: 341.36292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.C(=C(C=[N+]=[N-])[O-])[N+]#N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.C(=C(\C=[N+]=[N-])/[O-])\[N+]#N

InChI

InChI=1S/C11H21NO4.C3H2N4O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;4-6-1-3(8)2-7-5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1-2H/b;3-1+