CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(CNC(=O)OC(C)(C)C)s3)CS[C@H]12)c1csc(NC=O)n1
이름: 7-[2-(2-formamidothiazol-4-yl)-2-methoxyiminoacetamido]-3-(5-t-butoxycarbonylaminomethyl-1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylic acid
SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(CNC(=O)OC(C)(C)C)s3)CS[C@H]12)c1csc(NC=O)n1

Molecular Processing

Molecular formula
C23H26N8O8S4
Molecular weight
670.78
Exact mass
670.0756
XLogP
1.47
TPSA
214.4
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
12
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
20
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
158.74

Supplementary Information

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