N-[(1,1-Dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-L-histidine

CAS Registry Number®

7682-45-3
No image available.

CAS Name

N-[(1,1-Dimethylethoxy)carbonyl]-1-[2,2,2-trifluoro-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-L-histidine

Molecular Formula

C21H25F3N4O6

Molecular Mass

486.44

Cite 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 2024-05-18) (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

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser