methyl 3-(4-methyl-3-nitro-phenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-methyl-3-nitro-phenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-methyl-3-nitro-phenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoate CAS Name: 3-(4-methyl-3-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methyl-3-nitrophenyl)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoate Traditional Name: 3-(4-methyl-3-nitro-phenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid methyl ester Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CNC(=O)CCCCNC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CNC(=O)CCCCNC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O6/c1-16-9-10-17(13-19(16)28(32)33)18(14-23(31)34-2)27-22(30)15-26-21(29)8-4-6-12-25-20-7-3-5-11-24-20/h3,5,7,9-11,13,18H,4,6,8,12,14-15H2,1-2H3,(H,24,25)(H,26,29)(H,27,30)