CC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)C2c2ccccc2F)cc1
이름: tert-butyl (2RS,4SR,5RS)-4-(4-acetamidophenyl)sulphonyl-1-{2-[3-(3-benzyloxycarbonylphenyl)ureido]acetyl}-5-(2-fluorophenyl)-2-pyrrolidinecarboxylate
SMILES: CC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)C2c2ccccc2F)cc1

Molecular Processing

Molecular formula
C40H41FN4O9S
Molecular weight
772.85
Exact mass
772.2578
XLogP
5.79
TPSA
177.28
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
55
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.275
Molar refractivity
200.98

Supplementary Information

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