(2R)-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[[(3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-phenyl-acetate Formula: C23H25N2O5- MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-23(2,3)30-22(29)25-14-17-12-8-7-11-16(17)13-18(25)20(26)24-19(21(27)28)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3,(H,24,26)(H,27,28)/p-1/t18-,19+/m0/s1