methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrophenyl)carbonyl-amino]-3-(1,2,4-triazol-1-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrophenyl)carbonyl-amino]-3-(1,2,4-triazol-1-yl)propanoate Openeye Name: methyl (2S)-2-[tert-butoxycarbonyl-(4-nitrobenzoyl)amino]-3-(1,2,4-triazol-1-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(4-nitrophenyl)-oxomethyl]amino]-3-(1,2,4-triazol-1-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrobenzoyl)amino]-3-(1,2,4-triazol-1-yl)propanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl-(4-nitrobenzoyl)amino]-3-(1,2,4-triazol-1-yl)propionic acid methyl ester Formula: C18H21N5O7 MolecularWeight: 419.38864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O7/c1-18(2,3)30-17(26)22(14(16(25)29-4)9-21-11-19-10-20-21)15(24)12-5-7-13(8-6-12)23(27)28/h5-8,10-11,14H,9H2,1-4H3/t14-/m0/s1