CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CN(C)C(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
SMILES: CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CN(C)C(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C40H51N5O9S
Molecular weight
777.94
Exact mass
777.3407
XLogP
3.11
TPSA
192.47
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
19
Heavy atoms
55
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
208.86

Supplementary Information

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