C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)c(OS(=O)(=O)O)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)c(OS(=O)(=O)O)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

Molecular Processing

Molecular formula
C35H52N8O20S
Molecular weight
936.9
Exact mass
936.3019
XLogP
-9.26
TPSA
471.8
H-bond donors
16
H-bond acceptors
20
Rotatable bonds
9
Heavy atoms
64
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
15
Undefined stereo
0
Formal charge
0
Heteroatoms
29
Covalent units
1
Fraction Csp3
0.629
Molar refractivity
208.09

Supplementary Information

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