tert-butyl (2S)-3-phenyl-2-[(5-piperazin-4-ium-1-ylcarbonyl-1H-imidazol-4-yl)carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-phenyl-2-[(5-piperazin-4-ium-1-ylcarbonyl-1H-imidazol-4-yl)carbonylamino]propanoate Openeye Name: tert-butyl (2S)-3-phenyl-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo(1-piperazin-4-iumyl)methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-phenyl-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propionic acid tert-butyl ester Formula: C22H30N5O4+ MolecularWeight: 428.5047

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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)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C22H29N5O4/c1-22(2,3)31-21(30)16(13-15-7-5-4-6-8-15)26-19(28)17-18(25-14-24-17)20(29)27-11-9-23-10-12-27/h4-8,14,16,23H,9-13H2,1-3H3,(H,24,25)(H,26,28)/p+1/t16-/m0/s1