GD038114

Name:

(2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)

Formula:

C20H27O9N7

Smiles:

Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)[C@H](O)[C@@H]1O

Aglycone:

Nc1ncnc2c1N=C[N]2.O=CNCCCCCC(=O)NC(CC(=O)O)C(=O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• 66M

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD23860

Formula: C11H18O6N2

Smiles:

O=CNCCCCCC(=O)NC(CC(=O)O)C(=O)O

HBA:	8	RingCount:	0
HBD:	4	FractionCSP3:	0.64
AlogP:	-0.66	Num_rotatable_bonds:	11
MolWt:	274.27	Num_heavy_atoms:	19
TPSA:	132.8	NumAromaticRings:	0