SMILES:
COC(=O)C(CCSC)NC(=O)c1ccc(CC(=O)O)cc1-c1ccccc1Molecular Processing
Molecular formula
C21H23NO5S
Molecular weight
401.48
Exact mass
401.1297
XLogP
3.01
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
109.49
Supplementary Information
Obteniendo detalles…
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