Name: (S)-methyl 18-(4-((2-amino-4-hydroxypteridin-6-yl)methylamino)benzamido)-2,2-dimethyl-4,15-dioxo-3,8,11-trioxa-5,14-diazanonadecan-19-oate
SMILES:
COC(=O)[C@H](CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(NCc2cnc3nc(N)nc(O)c3n2)cc1Molecular Processing
Molecular formula
C31H43N9O9
Molecular weight
685.74
Exact mass
685.3184
XLogP
1.05
TPSA
251.13
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
18
Heavy atoms
49
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
176.36
Supplementary Information
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