methyl 3-(3-nitrophenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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