A1IFN

[(2~{R})-4-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]phosphonic acid

Created:2024-06-25
Last modified:  2025-07-02

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count2
Bond Count57
Aromatic Bond Count6
2D diagram of A1IFN
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Chemical Component Summary

Name[(2~{R})-4-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]phosphonic acid
Systematic Name (OpenEye OEToolkits)[(2~{R})-4-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]phosphonic acid
FormulaC19 H26 F3 N2 O6 P
Molecular Weight466.389
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C)CC(C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)P(=O)(O)O
Canonical SMILESCACTVS3.385 CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)P(=O)(O)O
InChIInChI1.06 InChI=1S/C19H26F3N2O6P/c1-10(2)9-14(31(28,29)30)17(26)24-15(11(3)4)18(27)23-13-7-5-12(6-8-13)16(25)19(20,21)22/h5-8,10-11,14-15H,9H2,1-4H3,(H,23,27)(H,24,26)(H2,28,29,30)/t14-,15+/m1/s1
InChIKeyInChI1.06 GKDUMYHHGNKYPT-CABCVRRESA-N

Related Resource References

Resource NameReference
PubChem 175684227