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D-Isovalinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N,N,3-trimethyl-
SpectraBase Compound ID K2sIWU18GBr
InChI InChI=1S/C22H35N3O4/c1-8-16(4)18(23-21(28)29-14-17-12-10-9-11-13-17)19(26)24-22(5,15(2)3)20(27)25(6)7/h9-13,15-16,18H,8,14H2,1-7H3,(H,23,28)(H,24,26)/t16-,18-,22-/m0/s1
InChIKey DNONTEUWMGKKGI-ZJBJCVSYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C22H35N3O4
Exact Mass 405.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEr7fK2YcAj
Name D-Isovalinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N,N,3-trimethyl-
CAS Registry Number 112142-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35N3O4
InChI InChI=1S/C22H35N3O4/c1-8-16(4)18(23-21(28)29-14-17-12-10-9-11-13-17)19(26)24-22(5,15(2)3)20(27)25(6)7/h9-13,15-16,18H,8,14H2,1-7H3,(H,23,28)(H,24,26)/t16-,18-,22-/m0/s1
InChIKey DNONTEUWMGKKGI-ZJBJCVSYSA-N
Molecular Weight 405.539 g/mol
SMILES N([C@](C(N(C)C)=O)(C(C)C)C)C([C@@](NC(=O)OCc1ccccc1)([C@](CC)(C)[H])[H])=O
SPLASH splash10-002u-9210000000-ec17521efe0bbabd246f
Source of Spectrum H-70-365-9
Synonyms benzyl (1S,2S)-1-[({(1S)-1-[(dimethylamino)carbonyl]-1,2-dimethylpropyl}amino)carbonyl]-2-methylbutylcarbamate N-Benzyloxycarbonyl-L-isoleucyl-N(1),n(1),2-trimethyl-D-valine-amide
Wiley ID 1371763