(2S)-3-(2-methylbut-3-en-2-yloxy)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(2-methylbut-3-en-2-yloxy)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(1,1-dimethylallyloxy)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid CAS Name: (2S)-3-(2-methylbut-3-en-2-yloxy)-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(2-methylbut-3-en-2-yloxy)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(1,1-dimethylallyloxy)-2-[(4-nitrobenzyl)oxycarbonylamino]propionic acid Formula: C16H20N2O7 MolecularWeight: 352.3392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)OCC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C=C)OC[C@@H](C(=O)O)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O7/c1-4-16(2,3)25-10-13(14(19)20)17-15(21)24-9-11-5-7-12(8-6-11)18(22)23/h4-8,13H,1,9-10H2,2-3H3,(H,17,21)(H,19,20)/t13-/m0/s1