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

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C30H28N4O4 MolecularWeight: 508.56772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CN3)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CN3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O4/c35-28(26-27(32-20-31-26)29(36)34-16-15-23-13-7-8-14-24(23)18-34)33-25(17-21-9-3-1-4-10-21)30(37)38-19-22-11-5-2-6-12-22/h1-14,20,25H,15-19H2,(H,31,32)(H,33,35)/t25-/m0/s1