Name: 4-nitrobenzyl (1R,5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-hydroxyethyl]-1-carbapen-2-em-3-carboxylate
SMILES:
CCN(CC)C(=O)c1ccccc1S(=O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1CMolecular Processing
Molecular formula
C28H31N3O8S
Molecular weight
569.64
Exact mass
569.1832
XLogP
3
TPSA
147.36
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
40
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
144.99
Supplementary Information
Details werden geladen…
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