CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@@]1(C)C(=O)O
名称: (2S,4R)-N-Boc-4-(4-Bromobenzyloxy)-2-methyl-proline
SMILES: CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@@]1(C)C(=O)O

Molecular Processing

Molecular formula
C18H24BrNO5
Molecular weight
414.3
Exact mass
413.0838
XLogP
3.82
TPSA
76.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
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
0.556
Molar refractivity
96.32

Supplementary Information

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