3-[1-(2,4-dinitrocyclohexyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-(2,4-dinitrocyclohexyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[1-(2,4-dinitrocyclohexyl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-(2,4-dinitrocyclohexyl)-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-(2,4-dinitrocyclohexyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[1-(2,4-dinitrocyclohexyl)imidazol-4-yl]propionic acid Formula: C17H25N5O8 MolecularWeight: 427.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C2CCC(CC2[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C2CCC(CC2[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H25N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h8-9,11-14H,4-7H2,1-3H3,(H,19,25)(H,23,24)