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Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N,N,2-trimethyl-
SpectraBase Compound ID 2onewojrGjf
InChI InChI=1S/C20H31N3O4/c1-19(2,3)27-18(26)21-15(13-14-11-9-8-10-12-14)16(24)22-20(4,5)17(25)23(6)7/h8-12,15H,13H2,1-7H3,(H,21,26)(H,22,24)/t15-/m0/s1
InChIKey BRYNXYQVCRRCEU-HNNXBMFYSA-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 I6aa9Lf7Ihd
Name Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N,N,2-trimethyl-
CAS Registry Number 111492-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N3O4
InChI InChI=1S/C20H31N3O4/c1-19(2,3)27-18(26)21-15(13-14-11-9-8-10-12-14)16(24)22-20(4,5)17(25)23(6)7/h8-12,15H,13H2,1-7H3,(H,21,26)(H,22,24)/t15-/m0/s1
InChIKey BRYNXYQVCRRCEU-HNNXBMFYSA-N
Molecular Weight 377.485 g/mol
SMILES N(C([C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])=O)C(C(N(C)C)=O)(C)C
SPLASH splash10-0a4i-9100000000-fe091afe701c5d35f15b
Source of Spectrum H-70-111-9
Synonyms 2-[n2-(tert-butoxycarbonyl)phenylalaninamido]-N,N,2-trimethylpropionamide tert-Butyl (1S)-1-benzyl-2-{[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino}-2-oxoethylcarbamate
Wiley ID 1358253