D-Valine, N-[3-[(methoxycarbonyl)dithio]-N-[[3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetyl]-L-alanyl]-

CAS Registry Number®

113787-92-1
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CAS Name

D-Valine, N-[3-[(methoxycarbonyl)dithio]-N-[[3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetyl]-L-alanyl]-

Molecular Formula

C20H23F3N4O7S2

Molecular Mass

552.54

Cite this Page

D-Valine, N-[3-[(methoxycarbonyl)dithio]-N-[[3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetyl]-L-alanyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113787-92-1 (retrieved 2024-09-06) (CAS RN: 113787-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H23F3N4O7S2/c1-10(2)15(17(30)31)25-16(29)13(9-35-36-18(32)33-3)24-14(28)8-34-12-6-4-5-11(7-12)19(26-27-19)20(21,22)23/h4-7,10,13,15H,8-9H2,1-3H3,(H,24,28)(H,25,29)(H,30,31)/t13-,15+/m0/s1

InChIKey

InChIKey=VLWRQHUSMOIPSC-DZGCQCFKSA-N

SMILES

C(F)(F)(F)C1(N=N1)C2=CC(OCC(N[C@H](C(N[C@H](C(C)C)C(O)=O)=O)CSSC(OC)=O)=O)=CC=C2

Canonical SMILES

O=C(OC)SSCC(NC(=O)COC1=CC=CC(=C1)C2(N=N2)C(F)(F)F)C(=O)NC(C(=O)O)C(C)C

Other Names for this Substance

  • D-Valine, N-[3-[(methoxycarbonyl)dithio]-N-[[3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetyl]-L-alanyl]-
  • 3H-Diazirine, D-valine deriv.