tert-butyl 2-[2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propanoate

Systemtic Name: tert-butyl 2-[2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propanoate Openeye Name: tert-butyl 2-[2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]propanoate CAS Name: 2-[[2-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]propanoate Traditional Name: 2-[2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]propionic acid tert-butyl ester Formula: C22H30N6O7 MolecularWeight: 490.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)OC(C)(C)C)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C)C(=O)OC(C)(C)C)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O7/c1-12(18(29)24-13(2)21(32)35-22(3,4)5)23-19(30)16-8-14(10-26(16)6)25-20(31)17-9-15(28(33)34)11-27(17)7/h8-13H,1-7H3,(H,23,30)(H,24,29)(H,25,31)