3-[[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanyl-2-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanyl-2-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-[[tert-butoxycarbonyl-(3-hydroxy-2-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-[[(3-hydroxy-2-phenylpropyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-[[(3-hydroxy-2-phenylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-[[tert-butoxycarbonyl-(3-hydroxy-2-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1CC2=CC=CC=C2CN1C(=O)O)CC(CO)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1CC2=CC=CC=C2CN1C(=O)O)CC(CO)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5/c1-25(2,3)32-24(31)26(14-21(17-28)18-9-5-4-6-10-18)16-22-13-19-11-7-8-12-20(19)15-27(22)23(29)30/h4-12,21-22,28H,13-17H2,1-3H3,(H,29,30)