名称: p-methoxybenzyl 7-[(Z)-2-(2-tritylaminothiazol-4-yl)-2-{(S)-1-diphenylmethoxycarbonylethoxyimino}acetamido]-3-chloromethyl-3-cephem-4-carboxylate
SMILES:
COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3C(NC(=O)/C(=N\O[C@@H](C)C(=O)OC(c4ccccc4)c4ccccc4)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1Molecular Processing
Molecular formula
C56H48ClN5O8S2
Molecular weight
1018.61
Exact mass
1017.2633
XLogP
9.63
TPSA
157.75
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
19
Heavy atoms
72
Rings
9
Aromatic rings
7
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
278.41
Supplementary Information
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