CC(C)CN1CCC(c2ncc(C3S[C@@H](CC(=O)N4CCC(N5CCc6ccccc6NC5=O)CC4)C(=O)N3CCC(C)(C)C)s2)CC1
SMILES: CC(C)CN1CCC(c2ncc(C3S[C@@H](CC(=O)N4CCC(N5CCc6ccccc6NC5=O)CC4)C(=O)N3CCC(C)(C)C)s2)CC1

Molecular Processing

Molecular formula
C37H54N6O3S2
Molecular weight
695.01
Exact mass
694.3699
XLogP
6.83
TPSA
89.09
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
48
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.676
Molar refractivity
195.36

Supplementary Information

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