이름: 2-Benzhydryloxycarbonyl-7-[2-methoxyimino-2-(2-tritylamino-thiazol-4-yl)-acetamido]-8-oxo-3-(2-tosyloxyvinyl)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=COS(=O)(=O)c3ccc(C)cc3)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Molecular Processing
Molecular formula
C54H45N5O8S3
Molecular weight
988.18
Exact mass
987.243
XLogP
9.11
TPSA
165.59
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
17
Heavy atoms
70
Rings
9
Aromatic rings
7
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
269.95
Supplementary Information
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