PLZ

4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID

Created:	2007-01-18
Last modified:	2024-09-27

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2 entries where PLZ is found as a standalone ligand2 entries where PLZ is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of PLZ

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Chemical Component Summary
Name	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
Systematic Name (OpenEye OEToolkits)	4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid
Formula	C₁₂ H₁₉ N₂ O₇ P
Molecular Weight	334.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
SMILES	CACTVS	3.341	Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O
Canonical SMILES	CACTVS	3.341	Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
InChIKey	InChI	1.03	DOHWOHSLOVXAFH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16040275

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