tert-butyl 4-[1-(2-azanyl-3,3-dimethyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-imidazol-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[1-(2-azanyl-3,3-dimethyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-imidazol-5-yl)-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[1-(2-amino-3,3-dimethyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-imidazol-5-yl)-4-oxo-butanoate CAS Name: 4-[1-(2-amino-3,3-dimethyl-1-oxobutyl)-3-formyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-imidazol-5-yl)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-amino-3,3-dimethylbutanoyl)-3-formyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-imidazol-5-yl)-4-oxobutanoate Traditional Name: 4-[1-(2-amino-3,3-dimethyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-imidazol-5-yl)-4-keto-butyric acid tert-butyl ester Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)CC(C3=CN=CN3)C(=O)OC(C)(C)C)C=O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)CC(C3=CN=CN3)C(=O)OC(C)(C)C)C=O)N

InChI

InChI=1S/C27H36N4O5/c1-26(2,3)24(28)23(34)22-18-10-8-7-9-16(18)11-17(14-32)31(22)21(33)12-19(20-13-29-15-30-20)25(35)36-27(4,5)6/h7-10,13-15,17,19,22,24H,11-12,28H2,1-6H3,(H,29,30)