N-[(1,1-Dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-L-histidine
CAS Registry Number®
7682-45-3
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CAS Name
N-[(1,1-Dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-L-histidineMolecular Formula
C21H25F3N4O6Molecular Mass
486.44Cite this Page
N-[(1,1-Dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-L-histidine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7682-45-3 (retrieved ) (CAS RN: 7682-45-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
100 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H25F3N4O6/c1-20(2,3)34-19(32)26-15(16(29)30)9-14-10-28(12-25-14)17(21(22,23)24)27-18(31)33-11-13-7-5-4-6-8-13/h4-8,10,12,15,17H,9,11H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t15-,17?/m0/s1
InChIKey
InChIKey=MXBLBDHOSUWYDH-MYJWUSKBSA-N
SMILES
C(NC(OCC1=CC=CC=C1)=O)(C(F)(F)F)N2C=C(C[C@H](NC(OC(C)(C)C)=O)C(O)=O)N=C2
Canonical SMILES
O=C(OCC=1C=CC=CC1)NC(N2C=NC(=C2)CC(NC(=O)OC(C)(C)C)C(=O)O)C(F)(F)F
Other Names for this Substance
- L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-
- Histidine, N-carboxy-1-[1-(carboxyamino)-2,2,2-trifluoroethyl]-, monobenzyl N-tert-butyl ester, L-
- Histidine, N-carboxy-1-[1-(carboxyamino)-2,2,2-trifluoroethyl]-, benzyl tert-butyl ester
- N-[(1,1-Dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-L-histidine