tert-butyl (2S)-2-[[2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[2-[2-[tert-butoxycarbonyl(methyl)amino]-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[2-[3-(4-hydroxy-2,6-dimethylphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-[3-(4-hydroxy-2,6-dimethylphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[2-[2-[tert-butoxycarbonyl(methyl)amino]-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propionic acid tert-butyl ester Formula: C34H47N3O7 MolecularWeight: 609.75288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C)C(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C)C)O

InChI

InChI=1S/C34H47N3O7/c1-20-15-25(38)16-21(2)26(20)18-28(36(10)32(42)44-34(7,8)9)30(40)37-19-24-14-12-11-13-23(24)17-27(37)29(39)35-22(3)31(41)43-33(4,5)6/h11-16,22,27-28,38H,17-19H2,1-10H3,(H,35,39)/t22-,27?,28?/m0/s1