SMILES:
CN(C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)C=CCC(C)(C)NC(=O)OC(C)(C)C)C(CNC(=S)NC1CC1)Cc1ccccc1Molecular Processing
Molecular formula
C40H53N5O4S
Molecular weight
699.96
Exact mass
699.3818
XLogP
6.16
TPSA
103.01
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
50
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
204.88
Supplementary Information
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