tert-butyl 4-[[4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-1H-imidazol-5-yl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-15(16-8-6-5-7-9-16)25-19(28)17-18(24-14-23-17)20(29)26-10-12-27(13-11-26)21(30)31-22(2,3)4/h5-9,14-15H,10-13H2,1-4H3,(H,23,24)(H,25,28)/t15-/m0/s1