Name: (S)-4-(4-((2-amino-4-hydroxypteridin-6-yl)methylamino)benzamido)-5-methoxy-5-oxopentanoic acid
SMILES:
COC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(NCc2cnc3nc(N)nc(O)c3n2)cc1Molecular Processing
Molecular formula
C20H21N7O6
Molecular weight
455.43
Exact mass
455.1553
XLogP
0.46
TPSA
202.54
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
115.11
Supplementary Information
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