A3G

3'-deoxy-3'-(glycylamino)adenosine

Created:	2010-11-18
Last modified:	2011-06-04

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2 entries where A3G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	42
Aromatic Bond Count	10

2D diagram of A3G

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Chemical Component Summary
Name	3'-deoxy-3'-(glycylamino)adenosine
Systematic Name (OpenEye OEToolkits)	N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-azanyl-ethanamide
Formula	C₁₂ H₁₇ N₇ O₄
Molecular Weight	323.308
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)CN
SMILES	CACTVS	3.370	NCC(=O)N[CH]1[CH](O)[CH](O[CH]1CO)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)NC(=O)CN)O)N
Canonical SMILES	CACTVS	3.370	NCC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N
InChI	InChI	1.03	InChI=1S/C12H17N7O4/c13-1-6(21)18-7-5(2-20)23-12(9(7)22)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,20,22H,1-2,13H2,(H,18,21)(H2,14,15,16)/t5-,7-,9-,12-/m1/s1
InChIKey	InChI	1.03	XJJYXFHVLHMVGL-MUIQIWNUSA-N

Related Resource References

Resource Name	Reference
PubChem	49786975

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