CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(C)(C)C(=O)O)c2)CN(C2CCCCC2)c2ccccc21.N[C@H]1CC[C@H](O)CC1
SMILES: CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(C)(C)C(=O)O)c2)CN(C2CCCCC2)c2ccccc21.N[C@H]1CC[C@H](O)CC1

Molecular Processing

Molecular formula
C38H55N5O6
Molecular weight
677.89
Exact mass
677.4152
XLogP
5.59
TPSA
165.3
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
49
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.579
Molar refractivity
192.97

Supplementary Information

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