1-(2-azanyl-3-methyl-butanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-(2-amino-3-methyl-butanoyl)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(2-amino-3-methylbutanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-(2-amino-3-methyl-butanoyl)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)C(=O)O)N

InChI

InChI=1S/C20H28N2O5/c1-11(2)15(21)17(23)16-13-9-7-6-8-12(13)10-14(18(24)25)22(16)19(26)27-20(3,4)5/h6-9,11,14-16H,10,21H2,1-5H3,(H,24,25)