SMILES:
C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)NC(C)CMolecular Processing
Molecular formula
C39H43N7O6
Molecular weight
705.82
Exact mass
705.3275
XLogP
5.3
TPSA
167.74
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
52
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.282
Molar refractivity
196.82
Supplementary Information
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