methyl 3-(2-nitrophenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(2-nitrophenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(2-nitrophenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-nitrophenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-32-21(29)13-16(15-7-2-3-8-17(15)26(30)31)25-20(28)14-24-19(27)10-6-12-23-18-9-4-5-11-22-18/h2-5,7-9,11,16H,6,10,12-14H2,1H3,(H,22,23)(H,24,27)(H,25,28)