CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
SMILES: CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O

Molecular Processing

Molecular formula
C27H34N2O8
Molecular weight
514.58
Exact mass
514.2315
XLogP
3.19
TPSA
140.26
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
134.29

Supplementary Information

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