名称: p-methoxybenzyl 7-{(Z)-2-(2-tritylaminothiazol-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetamido}-3-chloromethyl-3-cephem-4-carboxylate
SMILES:
COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3C(NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1Molecular Processing
Molecular formula
C48H48ClN5O8S2
Molecular weight
922.53
Exact mass
921.2633
XLogP
8.03
TPSA
157.75
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
16
Heavy atoms
64
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
248.05
Supplementary Information
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