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Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-4-(1-hydroxyethyl)-1-methyl-5-oxo-4-imidazolidinyl]butyl]-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(S*)]]-
SpectraBase Compound ID 1z8PTqe0JGo
InChI InChI=1S/C29H39N3O5/c1-21(33)29(18-12-13-19-30-27(36)37-20-22-14-8-6-9-15-22)26(35)31(5)25(28(2,3)4)32(29)24(34)23-16-10-7-11-17-23/h6-11,14-17,21,25,33H,12-13,18-20H2,1-5H3,(H,30,36)/t21-,25?,29?/m1/s1
InChIKey KIKDOYNQJLPVKE-KQACFBEISA-N
Mol Weight 509.6 g/mol
Molecular Formula C29H39N3O5
Exact Mass 509.288971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Qy2rJuzYxC
Name Carbamic acid, [4-[3-benzoyl-2-(1,1-dimethylethyl)-4-(1-hydroxyethyl)-1-methyl-5-oxo-4-imidazolidinyl]butyl]-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(S*)]]-
CAS Registry Number 116139-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39N3O5
InChI InChI=1S/C29H39N3O5/c1-21(33)29(18-12-13-19-30-27(36)37-20-22-14-8-6-9-15-22)26(35)31(5)25(28(2,3)4)32(29)24(34)23-16-10-7-11-17-23/h6-11,14-17,21,25,33H,12-13,18-20H2,1-5H3,(H,30,36)/t21-,25?,29?/m1/s1
InChIKey KIKDOYNQJLPVKE-KQACFBEISA-N
Molecular Weight 509.647 g/mol
SMILES O[C@@](C1(CCCCNC(=O)OCc2ccccc2)N(C(N(C)C1=O)C(C)(C)C)C(=O)c1ccccc1)(C)[H]
SPLASH splash10-0a4l-9700000000-69edc59e7ed666bb9b08
Source of Spectrum H-71-232-15
Synonyms (2S,5S)-1-Benzoyl-5-{4'-(benzyloxycarbonyl)amino]butyl}-2-t-butyl-5-(1''-hydroxyethyl)-3-methyl-4-imidazolidone benzyl 4-{3-benzoyl-2-tert-butyl-4-[(1R)-1-hydroxyethyl]-1-methyl-5-oxo-4-imidazolidinyl}butylcarbamate
Wiley ID 1400386