CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(C)(C)C(=O)O)c2)CN(C2CCCCC2)c2ccccc21.c1ccc(CNCCNCc2ccccc2)cc1
SMILES: CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(C)(C)C(=O)O)c2)CN(C2CCCCC2)c2ccccc21.c1ccc(CNCCNCc2ccccc2)cc1

Molecular Processing

Molecular formula
C48H62N6O5
Molecular weight
803.06
Exact mass
802.4782
XLogP
7.91
TPSA
143.11
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
59
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
236.82

Supplementary Information

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