이름: 2-[2-({[2-(4-bromo-phenyl)-2-oxo-ethyl carbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetylamino]-3-methyl-butyric acid methyl ester
SMILES:
COC(=O)C(NC(=O)CN(CC(=O)NCC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C)C(C)CMolecular Processing
Molecular formula
C23H32BrN3O7
Molecular weight
542.43
Exact mass
541.1424
XLogP
2.3
TPSA
131.11
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
34
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
128.07
Supplementary Information
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