tert-butyl (2S)-3-phenyl-2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-phenyl-2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-3-phenyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-phenyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propionic acid tert-butyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N5O4/c1-28(2,3)37-27(36)22(18-20-10-6-4-7-11-20)31-25(34)23-24(30-19-29-23)26(35)33-16-14-32(15-17-33)21-12-8-5-9-13-21/h4-13,19,22H,14-18H2,1-3H3,(H,29,30)(H,31,34)/t22-/m0/s1