SMILES:
CCC(=O)O[C@]1(C(=O)C(O)OC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(C)C)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CMolecular Processing
Molecular formula
C46H68N4O12
Molecular weight
869.07
Exact mass
868.4834
XLogP
2.82
TPSA
234.81
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
62
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
13
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
224.94
Supplementary Information
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