L-Phenylalanine, N-[2-[(3R)-1-(aminoiminomethyl)-3-piperidinyl]acetyl]-4-(2-phenylethynyl)-, methyl ester, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

1217448-66-2
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CAS Name

L-Phenylalanine, N-[2-[(3R)-1-(aminoiminomethyl)-3-piperidinyl]acetyl]-4-(2-phenylethynyl)-, methyl ester, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C26H30N4O3.C2HF3O2

Cite this Page

L-Phenylalanine, N-[2-[(3R)-1-(aminoiminomethyl)-3-piperidinyl]acetyl]-4-(2-phenylethynyl)-, methyl ester, 2,2,2-trifluoroacetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1217448-66-2 (retrieved 2024-07-06) (CAS RN: 1217448-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H30N4O3.C2HF3O2/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19;3-2(4,5)1(6)7/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31);(H,6,7)/t22-,23+;/m1./s1

InChIKey

InChIKey=BVMWPONRCOSTMK-RFPXDPOKSA-N

SMILES

[C@@H](CC1=CC=C(C#CC2=CC=CC=C2)C=C1)(NC(C[C@@H]3CN(C(=N)N)CCC3)=O)C(OC)=O.C(C(O)=O)(F)(F)F

Canonical SMILES

O=C(O)C(F)(F)F.O=C(OC)C(NC(=O)CC1CN(C(=N)N)CCC1)CC2=CC=C(C#CC=3C=CC=CC3)C=C2

Other Names for this Substance

  • L-Phenylalanine, N-[2-[(3R)-1-(aminoiminomethyl)-3-piperidinyl]acetyl]-4-(2-phenylethynyl)-, methyl ester, 2,2,2-trifluoroacetate (1:1)