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2-[N,N'-bis(1'',1''-Dimethylethoxycarbonyl)hydrazino-N-(2''-hydroxy-1''-methyl-2''-phenylethyl)-N-methyl-2-(3',5'-dibenzyloxy-4'-methoxyphenyl)acetamide

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2-[N,N'-bis(1'',1''-Dimethylethoxycarbonyl)hydrazino-N-(2''-hydroxy-1''-methyl-2''-phenylethyl)-N-methyl-2-(3',5'-dibenzyloxy-4'-methoxyphenyl)acetamide
SpectraBase Compound ID BImG29ZKJeQ
InChI InChI=1S/C43H53N3O9/c1-29(37(47)32-23-17-12-18-24-32)45(8)39(48)36(46(41(50)55-43(5,6)7)44-40(49)54-42(2,3)4)33-25-34(52-27-30-19-13-10-14-20-30)38(51-9)35(26-33)53-28-31-21-15-11-16-22-31/h10-26,29,36-37,47H,27-28H2,1-9H3,(H,44,49)/t29-,36-,37?/m0/s1
InChIKey JFYPWVCENLUXLW-JODFMKATSA-N
Mol Weight 755.9 g/mol
Molecular Formula C43H53N3O9
Exact Mass 755.37818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPh5LkGhYzx
Name 2-[N,N'-bis(1'',1''-Dimethylethoxycarbonyl)hydrazino-N-(2''-hydroxy-1''-methyl-2''-phenylethyl)-N-methyl-2-(3',5'-dibenzyloxy-4'-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 755.378180290 u
Formula C43H53N3O9
InChI InChI=1S/C43H53N3O9/c1-29(37(47)32-23-17-12-18-24-32)45(8)39(48)36(46(41(50)55-43(5,6)7)44-40(49)54-42(2,3)4)33-25-34(52-27-30-19-13-10-14-20-30)38(51-9)35(26-33)53-28-31-21-15-11-16-22-31/h10-26,29,36-37,47H,27-28H2,1-9H3,(H,44,49)/t29-,36-,37?/m0/s1
InChIKey JFYPWVCENLUXLW-JODFMKATSA-N
Molecular Weight 755.909 g/mol
SMILES C([C@@](N(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)(C1=CC(OCC2=CC=CC=C2)=C(C(=C1)OCC1=CC=CC=C1)OC)[H])(N([C@](C(C=1C=CC=CC1)O)(C)[H])C)=O