Name: sodium (1R,5S,6S)-2-[[(Z)-2-[4-(2-hydroxyethoxy)methylthiazol-5-yl]ethen-1-yl]thio]-6-((1R)-1-hydroxyethyl)-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\c3scnc3COCCO)[C@H](C)[C@H]12.[Na+]Molecular Processing
Molecular formula
C18H21N2NaO6S2
Molecular weight
448.5
Exact mass
448.0739
XLogP
-2.82
TPSA
123.02
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
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
0.5
Molar refractivity
102.48
Supplementary Information
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