methyl 3-(4-chloranyl-3-nitro-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-chloranyl-3-nitro-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-chloro-3-nitro-phenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoate CAS Name: 3-(4-chloro-3-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chloro-3-nitrophenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoate Traditional Name: 3-(4-chloro-3-nitro-phenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C21H24ClN5O6 MolecularWeight: 477.89816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O6/c1-33-21(30)12-16(14-7-8-15(22)17(11-14)27(31)32)26-20(29)13-25-19(28)6-4-10-24-18-5-2-3-9-23-18/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,23,24)(H,25,28)(H,26,29)