Nombre: 4-nitrobenzyl (4R,5S,6S)-3-[(2S,4S)-2-(2-aminothiazol-4-yl)-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](c4csc(N)n4)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)[C@H](C)[C@H]12Molecular Processing
Molecular formula
C32H32N6O10S2
Molecular weight
724.77
Exact mass
724.1621
XLogP
4.54
TPSA
221.57
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
11
Heavy atoms
50
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
180.14
Supplementary Information
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