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)C(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
Name: #129
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)C(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

Molecular Processing

Molecular formula
C57H81N5O10
Molecular weight
996.3
Exact mass
995.5983
XLogP
7.78
TPSA
173.12
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
22
Heavy atoms
72
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
277.72

Supplementary Information

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