Name: tert-butyl (2S,5S)-2-[(2-{[N-(tert-butoxycarbonyl)-4-fluoro-β-(4-fluorophenyl)-L-phenylalanyl]amino}-6-fluorophenoxy)methyl]-5-[({[(2,2,2-trifluoroethyl)amino]carbonyl}oxy)methyl]morpholine-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(F)c1OC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccc(F)cc1)c1ccc(F)cc1Molecular Processing
Molecular formula
C40H46F6N4O9
Molecular weight
840.82
Exact mass
840.3169
XLogP
7.44
TPSA
153.76
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
59
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
200.2
Supplementary Information
Details werden geladen…
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