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Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]butyl]-, phenylmethyl ester, (2S-trans)-
SpectraBase Compound ID FAdeRm2MjWD
InChI InChI=1S/C27H35N3O4/c1-27(2,3)25-29(4)24(32)22(30(25)23(31)21-15-9-6-10-16-21)17-11-12-18-28-26(33)34-19-20-13-7-5-8-14-20/h5-10,13-16,22,25H,11-12,17-19H2,1-4H3,(H,28,33)/t22-,25-/m0/s1
InChIKey OMMBBJSIXRIVCS-DHLKQENFSA-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 DU94fIwUule
Name Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]butyl]-, phenylmethyl ester, (2S-trans)-
Alternate Name(s) (2S,5S)-1-Benzoyl-5-{4'-[benzyloxycarbonyl)amino]butyl}-2-t-butyl-3-methyl-4-imidazolidone benzyl 4-[(2S,4S)-3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidinyl]butylcarbamate
CAS Registry Number 116139-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35N3O4
InChI InChI=1S/C27H35N3O4/c1-27(2,3)25-29(4)24(32)22(30(25)23(31)21-15-9-6-10-16-21)17-11-12-18-28-26(33)34-19-20-13-7-5-8-14-20/h5-10,13-16,22,25H,11-12,17-19H2,1-4H3,(H,28,33)/t22-,25-/m0/s1
InChIKey OMMBBJSIXRIVCS-DHLKQENFSA-N
Molecular Weight 465.594 g/mol
SMILES N(C(=O)OCc1ccccc1)CCCC[C@]1(C(=O)N([C@@](N1C(=O)c1ccccc1)(C(C)(C)C)[H])C)[H]
SPLASH splash10-0a6r-7901100000-5ad5b1f3d06f1f8e3ab8
Source of Spectrum H-71-231-9
Wiley ID 1391754