SMILES:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](Nc5cccnc5)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)CMolecular Processing
Molecular formula
C43H51N9O4
Molecular weight
757.94
Exact mass
757.4064
XLogP
7.37
TPSA
161.23
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
56
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.395
Molar refractivity
215.07
Supplementary Information
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