CC(C)[C@H](NC(=O)N(C)Cc1csc(N)n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(N)n1)C(C)C
SMILES: CC(C)[C@H](NC(=O)N(C)Cc1csc(N)n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(N)n1)C(C)C

Molecular Processing

Molecular formula
C40H56N10O6S2
Molecular weight
837.09
Exact mass
836.3826
XLogP
2.97
TPSA
241.16
H-bond donors
8
H-bond acceptors
12
Rotatable bonds
19
Heavy atoms
58
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
226.47

Supplementary Information

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