Name: sodium (1R,5S,6S)-2-[[(Z)-2-(4-acetoxymethylthiazol-5-yl)ethen-1-yl]thio]-6-((1R)-1-hydroxyethyl)-1-methyl-1-carbapen-2-em-3-carboxylate
SMILES:
CC(=O)OCc1ncsc1/C=C\SC1=C(C(=O)[O-])N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C.[Na+]Molecular Processing
Molecular formula
C18H19N2NaO6S2
Molecular weight
446.48
Exact mass
446.0582
XLogP
-2.27
TPSA
119.86
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
101.21
Supplementary Information
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