3-(4-methyl-3-nitro-phenyl)-3-[2-[4-(pyrimidin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)-3-[2-[4-(pyrimidin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-methyl-3-nitro-phenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(4-methyl-3-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-4-(2-pyrimidinylamino)butyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(4-methyl-3-nitrophenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-methyl-3-nitro-phenyl)-3-[[2-[4-(2-pyrimidylamino)butanoylamino]acetyl]amino]propionic acid Formula: C20H24N6O6 MolecularWeight: 444.44116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCNC2=NC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCNC2=NC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O6/c1-13-5-6-14(10-16(13)26(31)32)15(11-19(29)30)25-18(28)12-24-17(27)4-2-7-21-20-22-8-3-9-23-20/h3,5-6,8-10,15H,2,4,7,11-12H2,1H3,(H,24,27)(H,25,28)(H,29,30)(H,21,22,23)