3-(3-nitrophenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid Formula: C21H25N5O6 MolecularWeight: 443.4531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c27-19(9-2-4-11-23-18-8-1-3-10-22-18)24-14-20(28)25-17(13-21(29)30)15-6-5-7-16(12-15)26(31)32/h1,3,5-8,10,12,17H,2,4,9,11,13-14H2,(H,22,23)(H,24,27)(H,25,28)(H,29,30)