이름: (S)-2-(4-aminomethyl-2,6-difluorobenzoylamino)-3-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl]propionic acid TFA salt
SMILES:
Cc1c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(CN)cc3F)C(=O)O)cc2)c(=O)n(C)c(=O)n1C.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C26H25F5N4O7
Molecular weight
600.5
Exact mass
600.1643
XLogP
1.86
TPSA
173.72
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.269
Molar refractivity
137.63
Supplementary Information
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