BP5
Summary
Name: | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE |
Formula: | C13 H13 N3 O2 |
Formal charge: | 0 |
Formula weight: | 243.261 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(2,2'-bipyridin-5-yl)-L-alanine |
OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(6-pyridin-2-ylpyridin-3-yl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2cnc(c1ncccc1)cc2 |
InChI | InChI | 1.03 | InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | VWTQURBMIRJISI-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(nc1)c2ccccn2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N |