V61
Summary
Name: | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine |
Formula: | C9 H6 F4 I N O2 |
Formal charge: | 0 |
Formula weight: | 363.048 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[2,3,5,6-tetrakis(fluoranyl)-4-iodanyl-phenyl]propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F |
InChI | InChI | 1.03 | InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | SLQALVZLWIWJLN-VKHMYHEASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | C(c1c(c(c(c(c1F)F)I)F)F)C(C(=O)O)N |