CCCC(NC(=O)C1CC2CCCCC2N1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(O)C(=O)OCC
SMILES: CCCC(NC(=O)C1CC2CCCCC2N1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(O)C(=O)OCC

Molecular Processing

Molecular formula
C36H56N6O7
Molecular weight
684.88
Exact mass
684.421
XLogP
3.05
TPSA
179.92
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
49
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
181.72

Supplementary Information

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