名称: 4-nitrobenzyl (4R,5S,6S)-3-[(2S,4S)-2-(difluoromethyl)thiomethyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-ylthio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILES:
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@H]3C[C@@H](CSC(F)F)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)[C@H](C)[C@H]12Molecular Processing
Molecular formula
C31H32F2N4O10S2
Molecular weight
722.75
Exact mass
722.1528
XLogP
5.08
TPSA
182.66
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
49
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
173.12
Supplementary Information
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