L-Alaninamide, L-alanyl-N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, mono(trifluoroacetate)
CAS Registry Number®
184901-82-4
CAS Name
L-Alaninamide, L-alanyl-N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, mono(trifluoroacetate)Molecular Formula
C16H22ClN3O3.C2HF3O2Cite this Page
L-Alaninamide, L-alanyl-N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, mono(trifluoroacetate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=184901-82-4 (retrieved ) (CAS RN: 184901-82-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H22ClN3O3.C2HF3O2/c1-10(18)15(22)19-11(2)16(23)20-13(14(21)9-17)8-12-6-4-3-5-7-12;3-2(4,5)1(6)7/h3-7,10-11,13H,8-9,18H2,1-2H3,(H,19,22)(H,20,23);(H,6,7)/t10-,11-,13-;/m0./s1
InChIKey
InChIKey=ZFZXFWAYCYJFIZ-SQRKDXEHSA-N
SMILES
[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@H](C)N)=O)C)=O)C(CCl)=O.C(C(O)=O)(F)(F)F
Canonical SMILES
O=C(O)C(F)(F)F.O=C(NC(C(=O)NC(C(=O)CCl)CC=1C=CC=CC1)C)C(N)C
Other Names for this Substance
- L-Alaninamide, L-alanyl-N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, mono(trifluoroacetate)
- L-Alaninamide, L-alanyl-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-, (S)-, mono(trifluoroacetate)
