이름: 7β-[2-(2-formamidothiazol-4-yl)-2-methoxyiminoacetamido]-3-[1-methyl-4-(3,4-dihydroxybenzoyl)-1-piperazinio]methyl-3-cephem-4-carboxylate
SMILES:
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCN(C(=O)c4ccc(O)c(O)c4)CC3)CS[C@H]12)c1csc(NC=O)n1Molecular Processing
Molecular formula
C27H29N7O9S2
Molecular weight
659.7
Exact mass
659.1468
XLogP
-1.52
TPSA
213.89
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
10
Heavy atoms
45
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
158.86
Supplementary Information
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