Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-
(3S)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: AC1L1ZDH|RefChem:330862|BRN 2779992|CTK1C3613|KIGAPXNVLOREBY-VIFPVBQESA-N|carbonic acid bis-(2-allyloxy-ethyl ester)|BUTANOIC ACID, 4-((4-CYANOPHENYL)AMINO)-4-OXO-3-((TRIFLUOROACETYL)AMINO)-, (S)-|L-4'-Cyano-3-(2,2,2-trifluoroacetamido)succinanilic acid|(S)-4-((4-Cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)butanoic acid|N-(4-Cyanophenyl)-N~2~-(trifluoroacetyl)-L-alpha-asparagine|(3S)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid|(3S)-3-[(4-cyanophenyl)carbamoyl]-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
| Molecular Formula | C13H10F3N3O4 |
|---|---|
| Molecular Weight | 329.06235 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 119.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.06235 |
| Heavy Atoms | 23 |
| Complexity | 649.9 |
Chemical Identifiers
| CAS Number | 39219-30-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F |
Product Overview
Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- (CAS 39219-30-2), with molecular formula C13H10F3N3O4 and molecular weight 329.06235 g/mol. IUPAC: (3S)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
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