이름: 7β-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-carboxymethoxyiminoacetamido]-3-(1-methyl-1-piperazinio)methyl-3-cephem-4-carboxylate
SMILES:
C[N+]1(CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)C(=NOCC(=O)O)c4nsc(N)n4)[C@H]3SC2)CCNCC1Molecular Processing
Molecular formula
C19H24N8O7S2
Molecular weight
540.58
Exact mass
540.1209
XLogP
-3.62
TPSA
212.26
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
125.16
Supplementary Information
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