PHI
Summary
Name: | IODO-PHENYLALANINE |
Formula: | C9 H10 I N O2 |
Formal charge: | 0 |
Formula weight: | 291.086 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-iodo-L-phenylalanine |
OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-iodophenyl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Ic1ccc(cc1)CC(C(=O)O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(I)cc1)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(I)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)I |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)I |
InChI | InChI | 1.03 | InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | PZNQZSRPDOEBMS-QMMMGPOBSA-N |