3-(4-methyl-3-nitro-phenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-methyl-3-nitro-phenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(4-methyl-3-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(4-methyl-3-nitrophenyl)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-methyl-3-nitro-phenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O6/c1-15-8-9-16(12-18(15)27(32)33)17(13-22(30)31)26-21(29)14-25-20(28)7-3-5-11-24-19-6-2-4-10-23-19/h2,4,6,8-10,12,17H,3,5,7,11,13-14H2,1H3,(H,23,24)(H,25,28)(H,26,29)(H,30,31)