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Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-(phenylmethyl)-4-imidazolidinyl]butyl]-, phenylmethyl ester, (2S-trans)-
SpectraBase Compound ID LXLJvUJ7g7W
InChI InChI=1S/C34H41N3O4/c1-33(2,3)30-36(4)31(39)34(24-26-16-8-5-9-17-26,37(30)29(38)28-20-12-7-13-21-28)22-14-15-23-35-32(40)41-25-27-18-10-6-11-19-27/h5-13,16-21,30H,14-15,22-25H2,1-4H3,(H,35,40)/t30-,34+/m1/s1
InChIKey ILEAEJFLGVXFJE-HKFHRXRESA-N
Mol Weight 555.7 g/mol
Molecular Formula C34H41N3O4
Exact Mass 555.309707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLp1cL8NgHH
Name Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-(phenylmethyl)-4-imidazolidinyl]butyl]-, phenylmethyl ester, (2S-trans)-
Alternate Name(s) (2S,5S)-1-Benzoyl-5-benzyl-5-{4'-[benzyloxycarbonyl)amino]butyl}-2-t-butyl-3-methyl-4-imidazolidone benzyl 4-[(2R,4S)-3-benzoyl-4-benzyl-2-tert-butyl-1-methyl-5-oxoimidazolidinyl]butylcarbamate
CAS Registry Number 116139-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H41N3O4
InChI InChI=1S/C34H41N3O4/c1-33(2,3)30-36(4)31(39)34(24-26-16-8-5-9-17-26,37(30)29(38)28-20-12-7-13-21-28)22-14-15-23-35-32(40)41-25-27-18-10-6-11-19-27/h5-13,16-21,30H,14-15,22-25H2,1-4H3,(H,35,40)/t30-,34+/m1/s1
InChIKey ILEAEJFLGVXFJE-HKFHRXRESA-N
Molecular Weight 555.719 g/mol
SMILES N(C(=O)OCc1ccccc1)CCCC[C@]1(N([C@@](N(C)C1=O)(C(C)(C)C)[H])C(=O)c1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-5943000000-0b0862f3bdc5ae2d9ebb
Source of Spectrum H-71-231-11
Wiley ID 1406311