O3Z

(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid

Created:	2020-01-28
Last modified:	2024-09-27

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1 entries where O3Z is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	6

2D diagram of O3Z

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Chemical Component Summary
Name	(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
Formula	C₁₁ H₁₇ N₂ O₈ P
Molecular Weight	336.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CO)C(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m1/s1
InChIKey	InChI	1.03	ODVKKQWXKRZJLG-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	54145133

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