BP5

3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE

Created:	2007-05-23
Last modified:	2024-09-27

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1 entries where BP5 is found as a standalone ligand5 entries where BP5 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	12

2D diagram of BP5

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Chemical Component Summary
Name	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(6-pyridin-2-ylpyridin-3-yl)propanoic acid
Formula	C₁₃ H₁₃ N₃ O₂
Molecular Weight	243.261
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc2cnc(c1ncccc1)cc2
SMILES	CACTVS	3.370	N[CH](Cc1ccc(nc1)c2ccccn2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N
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

Related Resource References

Resource Name	Reference
PubChem	10060325

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