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Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-1-methyl-5-oxo-4-imidazolidinyl]butyl]-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(S*)]]-
SpectraBase Compound ID 8y24HLY44Up
InChI InChI=1S/C34H41N3O5/c1-33(2,3)30-36(4)31(40)34(28(38)26-18-10-6-11-19-26,37(30)29(39)27-20-12-7-13-21-27)22-14-15-23-35-32(41)42-24-25-16-8-5-9-17-25/h5-13,16-21,28,30,38H,14-15,22-24H2,1-4H3,(H,35,41)/t28-,30?,34?/m1/s1
InChIKey LDFCMKXOYJAGPV-LGEVGLALSA-N
Mol Weight 571.7 g/mol
Molecular Formula C34H41N3O5
Exact Mass 571.304621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7GXDfEx4FF
Name Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-1-methyl-5-oxo-4-imidazolidinyl]butyl]-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(S*)]]-
CAS Registry Number 116139-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H41N3O5
InChI InChI=1S/C34H41N3O5/c1-33(2,3)30-36(4)31(40)34(28(38)26-18-10-6-11-19-26,37(30)29(39)27-20-12-7-13-21-27)22-14-15-23-35-32(41)42-24-25-16-8-5-9-17-25/h5-13,16-21,28,30,38H,14-15,22-24H2,1-4H3,(H,35,41)/t28-,30?,34?/m1/s1
InChIKey LDFCMKXOYJAGPV-LGEVGLALSA-N
Molecular Weight 571.718 g/mol
SMILES O[C@@](C1(CCCCNC(=O)OCc2ccccc2)N(C(N(C)C1=O)C(C)(C)C)C(=O)c1ccccc1)(c1ccccc1)[H]
SPLASH splash10-0ufu-7940000000-b65ca7da0a67bd150193
Source of Spectrum H-71-232-15
Synonyms (2S,5S)-1-Benzoyl-5-{4'-(benzyloxycarbonyl)amino]butyl}-2-t-butyl-5-(1''-hydroxybenzyl)-3-methyl-4-imidazolidone benzyl 4-{3-benzoyl-2-tert-butyl-4-[(R)-hydroxy(phenyl)methyl]-1-methyl-5-oxo-4-imidazolidinyl}butylcarbamate
Wiley ID 1407793