GD038528

Name:

(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide

Formula:

C28H47O7N15

Smiles:

N=C(N)NCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCCNC(=N)N)C(N)=O

Aglycone:

N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC=O)C(N)=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ARX

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

AD10943

Formula: C19H38O4N10

Smiles:

N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC=O)C(N)=O

HBA:	14	RingCount:	0
HBD:	13	FractionCSP3:	0.68
AlogP:	-2.73	Num_rotatable_bonds:	19
MolWt:	470.58	Num_heavy_atoms:	33
TPSA:	254.19	NumAromaticRings:	0