SMILES:
CCC1CCNCC1C(=O)[C@H](CCCc1ccc(N)nc1)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C22H36N4O3
Molecular weight
404.56
Exact mass
404.2787
XLogP
3.08
TPSA
106.34
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
114.51
Supplementary Information
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