SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)C1(N)CC1)C(C)CMolecular Processing
Molecular formula
C39H60N6O6S
Molecular weight
741.01
Exact mass
740.4295
XLogP
4.1
TPSA
156.19
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
19
Heavy atoms
52
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
202.19
Supplementary Information
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