Nombre: benzyl (5S)—N2,N2-bis(tert-butoxycarbonyl)-5-(2,3-difluorophenyl)-6-nitro-D-norleucinate
SMILES:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H](CC[C@H](C[N+](=O)[O-])c1cccc(F)c1F)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C29H36F2N2O8
Molecular weight
578.61
Exact mass
578.244
XLogP
6.39
TPSA
125.28
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
41
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
144.53
Supplementary Information
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