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Carbamic acid, [3-[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]propyl]-, phenylmethyl ester, (2S-trans)-
SpectraBase Compound ID 99r4RTD9diD
InChI InChI=1S/C26H33N3O4/c1-26(2,3)24-28(4)23(31)21(29(24)22(30)20-14-9-6-10-15-20)16-11-17-27-25(32)33-18-19-12-7-5-8-13-19/h5-10,12-15,21,24H,11,16-18H2,1-4H3,(H,27,32)/t21-,24-/m0/s1
InChIKey REOGXVXYYNENJU-URXFXBBRSA-N
Mol Weight 451.6 g/mol
Molecular Formula C26H33N3O4
Exact Mass 451.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Qt3YueYkBL
Name Carbamic acid, [3-[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]propyl]-, phenylmethyl ester, (2S-trans)-
CAS Registry Number 116139-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N3O4
InChI InChI=1S/C26H33N3O4/c1-26(2,3)24-28(4)23(31)21(29(24)22(30)20-14-9-6-10-15-20)16-11-17-27-25(32)33-18-19-12-7-5-8-13-19/h5-10,12-15,21,24H,11,16-18H2,1-4H3,(H,27,32)/t21-,24-/m0/s1
InChIKey REOGXVXYYNENJU-URXFXBBRSA-N
Molecular Weight 451.567 g/mol
SMILES N(C(=O)OCc1ccccc1)CCC[C@]1(C(=O)N([C@@](N1C(=O)c1ccccc1)(C(C)(C)C)[H])C)[H]
SPLASH splash10-0a4r-5942000000-2ef5f4db85f86e55baad
Source of Spectrum H-71-231-10
Synonyms (2S,5S)-1-Benzoyl-5-{4'-[benzyloxycarbonyl)amino]propyl}-2-t-butyl-3-methyl-4-imidazolidone benzyl 3-[(2S,4S)-3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidinyl]propylcarbamate
Wiley ID 1387987