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

Systemtic Name: tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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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)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H30N4O4/c1-27(2,3)35-26(34)21(15-18-9-5-4-6-10-18)30-24(32)22-23(29-17-28-22)25(33)31-14-13-19-11-7-8-12-20(19)16-31/h4-12,17,21H,13-16H2,1-3H3,(H,28,29)(H,30,32)/t21-/m0/s1