methyl 3-[[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-5-nitro-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-5-nitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-[6-(tert-butoxycarbonylamino)hexanoylamino]-5-nitro-benzoyl]amino]propanoate CAS Name: 3-[[[3-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-5-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-5-nitrobenzoyl]amino]propanoate Traditional Name: 3-[[3-[6-(tert-butoxycarbonylamino)hexanoylamino]-5-nitro-benzoyl]amino]propionic acid methyl ester Formula: C22H32N4O8 MolecularWeight: 480.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O8/c1-22(2,3)34-21(30)24-10-7-5-6-8-18(27)25-16-12-15(13-17(14-16)26(31)32)20(29)23-11-9-19(28)33-4/h12-14H,5-11H2,1-4H3,(H,23,29)(H,24,30)(H,25,27)