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Carbamic acid, [3-[3-benzoyl-2-(1,1-dimethylethyl)-1,4-dimethyl-5-oxo-4-imidazolidinyl]propyl]-, phenylmethyl ester, (2S-cis)-
SpectraBase Compound ID 1vrB3H6tkN3
InChI InChI=1S/C27H35N3O4/c1-26(2,3)23-29(5)24(32)27(4,30(23)22(31)21-15-10-7-11-16-21)17-12-18-28-25(33)34-19-20-13-8-6-9-14-20/h6-11,13-16,23H,12,17-19H2,1-5H3,(H,28,33)/t23-,27+/m1/s1
InChIKey GBBVXUOBTYIGNZ-KCWPFWIISA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H35N3O4
Exact Mass 465.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aMDWEwHe9D
Name Carbamic acid, [3-[3-benzoyl-2-(1,1-dimethylethyl)-1,4-dimethyl-5-oxo-4-imidazolidinyl]propyl]-, phenylmethyl ester, (2S-cis)-
CAS Registry Number 116139-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35N3O4
InChI InChI=1S/C27H35N3O4/c1-26(2,3)23-29(5)24(32)27(4,30(23)22(31)21-15-10-7-11-16-21)17-12-18-28-25(33)34-19-20-13-8-6-9-14-20/h6-11,13-16,23H,12,17-19H2,1-5H3,(H,28,33)/t23-,27+/m1/s1
InChIKey GBBVXUOBTYIGNZ-KCWPFWIISA-N
Molecular Weight 465.594 g/mol
SMILES N(C(=O)OCc1ccccc1)CCC[C@@]1(N([C@@](N(C)C1=O)(C(C)(C)C)[H])C(=O)c1ccccc1)C
SPLASH splash10-0a4i-2900100000-586c20218db9526acb80
Source of Spectrum H-71-231-12
Synonyms (2S,5R)-1-benzoyl-5-{3'-[benzyloxycarbonyl)amino]propyl}-2-t-butyl-3,5-dimethyl-4-imidazolidone benzyl 3-[(2R,4S)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidinyl]propylcarbamate
Wiley ID 1391755