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(S,S)-(-)-N-Methyl-N-BOC-[N-[N'-[.alpha.-(N''-(3,5-dimethylphenyl)carbamyl)benzyl]carbamyl]-2-methylpropyl]amide
SpectraBase Compound ID ERtE1ZzT3bq
InChI InChI=1S/C27H37N3O4/c1-17(2)23(30(8)26(33)34-27(5,6)7)25(32)29-22(20-12-10-9-11-13-20)24(31)28-21-15-18(3)14-19(4)16-21/h9-17,22-23H,1-8H3,(H,28,31)(H,29,32)/t22-,23-/m0/s1
InChIKey ZQLDGPOICKGISI-GOTSBHOMSA-N
Mol Weight 467.6 g/mol
Molecular Formula C27H37N3O4
Exact Mass 467.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ilQ3pb9961
Name (S,S)-(-)-N-Methyl-N-BOC-[N-[N'-[.alpha.-(N''-(3,5-dimethylphenyl)carbamyl)benzyl]carbamyl]-2-methylpropyl]amide
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Formula C27H37N3O4
InChI InChI=1S/C27H37N3O4/c1-17(2)23(30(8)26(33)34-27(5,6)7)25(32)29-22(20-12-10-9-11-13-20)24(31)28-21-15-18(3)14-19(4)16-21/h9-17,22-23H,1-8H3,(H,28,31)(H,29,32)/t22-,23-/m0/s1
InChIKey ZQLDGPOICKGISI-GOTSBHOMSA-N
Molecular Weight 467.610 g/mol
SMILES N(C([C@@](N(C(OC(C)(C)C)=O)C)(C(C)C)[H])=O)[C@](C(Nc1cc(C)cc(c1)C)=O)(c1ccccc1)[H]
SPLASH splash10-05nr-7910000000-d62ba37e0cac061765ea
Source of Spectrum F-62-282-41
Synonyms tert-Butyl (1S)-1-({[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino}carbonyl)-2-methylpropyl(methyl)carbamate
Wiley ID 1631811