3-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-(4-fluorophenyl)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C16H21FN2O5 MolecularWeight: 340.346743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C16H21FN2O5/c1-16(2,3)24-15(23)18-9-13(20)19-12(14(21)22)8-10-4-6-11(17)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)