1MH

3-pyridin-3-yl-L-alanine

Created:	2013-03-28
Last modified:	2024-09-27

Find Related PDB Entry
9 entries where 1MH is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of 1MH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-pyridin-3-yl-L-alanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-pyridin-3-yl-propanoic acid
Formula	C₈ H₁₀ N₂ O₂
Molecular Weight	166.177
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc1cccnc1
SMILES	CACTVS	3.370	N[CH](Cc1cccnc1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](Cc1cccnc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
InChIKey	InChI	1.03	DFZVZEMNPGABKO-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	7135680, 152953
ChEMBL	CHEMBL4242404

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.