methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-pyrazol-1-yl-propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-pyrazol-1-yl-propanoate Openeye Name: methyl (2S)-2-[tert-butoxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-pyrazol-1-yl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(4-nitrophenyl)methoxy-oxomethyl]amino]-3-(1-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-pyrazol-1-ylpropanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl-(4-nitrobenzyl)oxycarbonyl-amino]-3-pyrazol-1-yl-propionic acid methyl ester Formula: C20H24N4O8 MolecularWeight: 448.42656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CN1C=CC=N1)C(=O)OC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CN1C=CC=N1)C(=O)OC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O8/c1-20(2,3)32-19(27)23(16(17(25)30-4)12-22-11-5-10-21-22)18(26)31-13-14-6-8-15(9-7-14)24(28)29/h5-11,16H,12-13H2,1-4H3/t16-/m0/s1