이름: (S)-tert-butyl 3-((R)-2-(4-(cyclopropylsulfonyl)phenyl)-3-((5-fluorothiazol-2-yl)amino)-3-oxopropyl)pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC[C@H](C[C@@H](C(=O)Nc2ncc(F)s2)c2ccc(S(=O)(=O)C3CC3)cc2)C1Molecular Processing
Molecular formula
C24H30FN3O5S2
Molecular weight
523.65
Exact mass
523.1611
XLogP
4.59
TPSA
105.67
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
130.62
Supplementary Information
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