Name: phenacyl ester
SMILES:
C[C@@H]1C[C@@H](C(=O)OC[C@H](NC(=O)OCc2ccccc2)C(=O)OCC(=O)c2ccccc2)N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C44H57N5O12
Molecular weight
847.96
Exact mass
847.4004
XLogP
3.77
TPSA
207.26
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
61
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
218.44
Supplementary Information
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Involved in 1 reactions→