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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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