R1O

N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine

Created:	2022-06-15
Last modified:	2024-09-27

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1 entries where R1O is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	6

2D diagram of R1O

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Chemical Component Summary
Name	N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine
Systematic Name (OpenEye OEToolkits)	(2~{R})-6-azanyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanoic acid
Formula	C₁₄ H₂₄ N₃ O₇ P
Molecular Weight	377.33
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1c(CNC(CCCCN)C(=O)O)c(cnc1C)COP(=O)(O)O
SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCCN)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CCCCN)C(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCCN)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1
InChIKey	InChI	1.03	GQMAOPRRHWJXFB-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	165430673

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