Name: 7-amino-3-(5-tert-butoxycarbonylaminomethyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid
SMILES:
CC(C)(C)OC(=O)NCc1nnc(SCC2=C(C(=O)O)N3C(=O)C(N)[C@H]3SC2)s1Molecular Processing
Molecular formula
C16H21N5O5S3
Molecular weight
459.58
Exact mass
459.0705
XLogP
1.24
TPSA
147.74
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
109.44
Supplementary Information
Details werden geladen…
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