HFV
Summary
| Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE |
| Formula: | C14 H19 F6 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 471.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-4,4,4,4',4',4'-hexafluoro-L-valine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-oxo-6-[[(2R)-1-oxo-3-sulfanyl-1-[[(2S)-4,4,4-trifluoro-1-hydroxy-1-oxo-3-(trifluoromethyl)butan-2-yl]amino]propan-2-yl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)C(C(F)(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCC(=O)N[CH](CS)C(=O)N[CH](C(C(F)(F)F)C(F)(F)F)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NC(C(C(F)(F)F)C(F)(F)F)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | IPFVQRRDLLEXCD-HAFWLYHUSA-N |
