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

Systemtic Name: tert-butyl 4-[[4-[[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(1S)-1-benzyloxycarbonyl-3-methyl-butyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(1S)-1-carbobenzoxy-3-methyl-butyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H37N5O6 MolecularWeight: 527.61258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H37N5O6/c1-18(2)15-20(25(35)37-16-19-9-7-6-8-10-19)30-23(33)21-22(29-17-28-21)24(34)31-11-13-32(14-12-31)26(36)38-27(3,4)5/h6-10,17-18,20H,11-16H2,1-5H3,(H,28,29)(H,30,33)/t20-/m0/s1