For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N5-[(1,1-Dimethylethoxy)carbonyl]-N2-[4-(methylamino)benzoyl]-DL-4,4,difluoroornithine tert-Butyl ester
SpectraBase Compound ID 6SyXdC5zxo6
InChI InChI=1S/C22H33F2N3O5/c1-20(2,3)31-18(29)16(27-17(28)14-8-10-15(25-7)11-9-14)12-22(23,24)13-26-19(30)32-21(4,5)6/h8-11,16,25H,12-13H2,1-7H3,(H,26,30)(H,27,28)/t16-/m0/s1
InChIKey KXOCKBKHFKGUSA-INIZCTEOSA-N
Mol Weight 457.5 g/mol
Molecular Formula C22H33F2N3O5
Exact Mass 457.238827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LhmYFaP8DpP
Name N5-[(1,1-Dimethylethoxy)carbonyl]-N2-[4-(methylamino)benzoyl]-DL-4,4,difluoroornithine tert-Butyl ester
Alternate Name(s) tert-Butyl (2S)-5-[(tert-butoxycarbonyl)amino]-4,4-difluoro-2-{[4-(methylamino)benzoyl]amino}pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33F2N3O5
InChI InChI=1S/C22H33F2N3O5/c1-20(2,3)31-18(29)16(27-17(28)14-8-10-15(25-7)11-9-14)12-22(23,24)13-26-19(30)32-21(4,5)6/h8-11,16,25H,12-13H2,1-7H3,(H,26,30)(H,27,28)/t16-/m0/s1
InChIKey KXOCKBKHFKGUSA-INIZCTEOSA-N
Molecular Weight 457.519 g/mol
SMILES N(C(c1ccc(cc1)NC)=O)[C@@](CC(CNC(OC(C)(C)C)=O)(F)F)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-001i-0901000000-e17c49603577447c4e63
Source of Spectrum E1-39-2539-11
Wiley ID 1598806