CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@H]1C(=O)O
名称: trans-N-Boc-4-(4-bromo-benzyloxy)-L-proline
SMILES: CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@H]1C(=O)O

Molecular Processing

Molecular formula
C17H22BrNO5
Molecular weight
400.27
Exact mass
399.0681
XLogP
3.43
TPSA
76.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
91.7

Supplementary Information

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