tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]propionic acid tert-butyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N4O4/c1-13(20(28)29-21(2,3)4)24-18(26)16-17(23-12-22-16)19(27)25-10-9-14-7-5-6-8-15(14)11-25/h5-8,12-13H,9-11H2,1-4H3,(H,22,23)(H,24,26)/t13-/m0/s1