tert-butyl 2-[(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-[(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C29H38N2O6 MolecularWeight: 510.62182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2=CC=CC=C2CN1C(=O)C(CC3=CC=C(C=C3)O)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CC2=CC=CC=C2CN1C(=O)[C@H](CC3=CC=C(C=C3)O)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H38N2O6/c1-28(2,3)36-26(34)24-17-20-10-8-9-11-21(20)18-31(24)25(33)23(16-19-12-14-22(32)15-13-19)30(7)27(35)37-29(4,5)6/h8-15,23-24,32H,16-18H2,1-7H3/t23-,24?/m0/s1