tert-butyl (2S)-4-methyl-2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]pentanoate Openeye Name: tert-butyl (2S)-4-methyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]valeric acid tert-butyl ester Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H35N5O4/c1-17(2)15-19(24(33)34-25(3,4)5)28-22(31)20-21(27-16-26-20)23(32)30-13-11-29(12-14-30)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3,(H,26,27)(H,28,31)/t19-/m0/s1