CC(C)[C@H](NC(=O)CSc1ncc[nH]1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)CSc1ncc[nH]1)C(C)C
SMILES: CC(C)[C@H](NC(=O)CSc1ncc[nH]1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)CSc1ncc[nH]1)C(C)C

Molecular Processing

Molecular formula
C38H50N8O6S2
Molecular weight
779
Exact mass
778.3295
XLogP
2.48
TPSA
214.22
H-bond donors
8
H-bond acceptors
10
Rotatable bonds
21
Heavy atoms
54
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
6
Undefined stereo
4
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
208.33

Supplementary Information

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