tert-butyl 4-[[4-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(1S)-1-benzyl-2-benzyloxy-2-oxo-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[oxo-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]methyl]-1H-imidazol-5-yl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(1S)-2-benzoxy-1-benzyl-2-keto-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35N5O6/c1-30(2,3)41-29(39)35-16-14-34(15-17-35)27(37)25-24(31-20-32-25)26(36)33-23(18-21-10-6-4-7-11-21)28(38)40-19-22-12-8-5-9-13-22/h4-13,20,23H,14-19H2,1-3H3,(H,31,32)(H,33,36)/t23-/m0/s1