Name: sodium (1R,5S,6S)-6-((1R)-1-hydroxyethyl)-2-[[(Z)-2-(4-hydroxymethylthiazol-2-yl)ethen-1-yl]thio]-1-methyl-1-carbapen-2-em-3-carboxylate
SMILES:
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S/C=C\c3nc(CO)cs3)[C@H](C)[C@H]12.[Na+]Molecular Processing
Molecular formula
C16H17N2NaO5S2
Molecular weight
404.45
Exact mass
404.0477
XLogP
-2.84
TPSA
113.79
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
91.66
Supplementary Information
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