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Alaninamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N,N,2-trimethyl-
SpectraBase Compound ID DKUdetZ01PX
InChI InChI=1S/C20H31N3O4/c1-7-14(2)16(17(24)22-20(3,4)18(25)23(5)6)21-19(26)27-13-15-11-9-8-10-12-15/h8-12,14,16H,7,13H2,1-6H3,(H,21,26)(H,22,24)/t14-,16-/m0/s1
InChIKey RKINPYSQGQHFOZ-HOCLYGCPSA-N
Mol Weight 377.49 g/mol
Molecular Formula C20H31N3O4
Exact Mass 377.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KpH22sMbgy
Name Alaninamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N,N,2-trimethyl-
CAS Registry Number 112142-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N3O4
InChI InChI=1S/C20H31N3O4/c1-7-14(2)16(17(24)22-20(3,4)18(25)23(5)6)21-19(26)27-13-15-11-9-8-10-12-15/h8-12,14,16H,7,13H2,1-6H3,(H,21,26)(H,22,24)/t14-,16-/m0/s1
InChIKey RKINPYSQGQHFOZ-HOCLYGCPSA-N
Molecular Weight 377.485 g/mol
SMILES N(C(C(N(C)C)=O)(C)C)C([C@@](NC(=O)OCc1ccccc1)([C@](CC)(C)[H])[H])=O
SPLASH splash10-0a4l-9300000000-57c21ee849588635caf0
Source of Spectrum H-70-362-9
Synonyms benzyl (1S,2S)-1-({[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino}carbonyl)-2-methylbutylcarbamate N-Benzyloxycarbonyl-L-isoleucyl-N(1),n(1),2-trimethylalanine-amide
Wiley ID 1358254