tert-butyl 4-[(2S)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-3-(benzotriazol-1-yloxy)-2-(tert-butoxycarbonylamino)-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 4-[(2S)-3-(1-benzotriazolyloxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate Traditional Name: 4-[(2S)-3-(benzotriazol-1-yloxy)-2-(tert-butoxycarbonylamino)-3-keto-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C22H28N6O6 MolecularWeight: 472.49432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)ON2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H28N6O6/c1-21(2,3)32-19(30)24-16(11-14-12-27(13-23-14)20(31)33-22(4,5)6)18(29)34-28-17-10-8-7-9-15(17)25-26-28/h7-10,12-13,16H,11H2,1-6H3,(H,24,30)/t16-/m0/s1