O8M

2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide

Created:	2008-07-31
Last modified:	2020-06-05

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1 entries where O8M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	4
Bond Count	48
Aromatic Bond Count	10

2D diagram of O8M

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Chemical Component Summary
Name	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
Synonyms	5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Systematic Name (OpenEye OEToolkits)	2-[[(2R,3S,4R,5R)-5-(6-amino-8-methyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-amino]ethanamide
Formula	C₁₄ H₂₁ N₇ O₄
Molecular Weight	351.361
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
SMILES	CACTVS	3.341	CN(C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23)CC(N)=O
SMILES	OpenEye OEToolkits	1.5.0	Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CC(=O)N)O)O)N
Canonical SMILES	CACTVS	3.341	CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(C)nc3c(N)ncnc23)CC(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N
InChI	InChI	1.03	InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
InChIKey	InChI	1.03	IRWBMXVMEDHEJW-FRJWGUMJSA-N

Related Resource References

Resource Name	Reference
PubChem	25181316
ChEMBL	CHEMBL460913

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.