2-Piperazinone, 4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3-[(1,1-dimethylethoxy)methyl]-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS Registry Number®
1222102-51-3
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CAS Name
2-Piperazinone, 4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3-[(1,1-dimethylethoxy)methyl]-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)Molecular Formula
C19H26F3N3O3.C4H6O6Cite this Page
2-Piperazinone, 4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3-[(1,1-dimethylethoxy)methyl]-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1222102-51-3 (retrieved ) (CAS RN: 1222102-51-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C19H26F3N3O3.C4H6O6/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20;5-1(3(7)8)2(6)4(9)10/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10)/t12-,16-;1-,2-/m11/s1
InChIKey
InChIKey=RBBXDAJRSNHIJZ-DLDKMZOSSA-N
SMILES
C(C[C@@H](CC1=C(F)C=C(F)C(F)=C1)N)(=O)N2[C@H](COC(C)(C)C)C(=O)NCC2.[C@@H]([C@H](C(O)=O)O)(C(O)=O)O
Canonical SMILES
O=C(O)C(O)C(O)C(=O)O.O=C1NCCN(C(=O)CC(N)CC2=CC(F)=C(F)C=C2F)C1COC(C)(C)C
Other Names for this Substance
- 2-Piperazinone, 4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3-[(1,1-dimethylethoxy)methyl]-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
