Name: (±)-7-[[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]heptanoic acid, methyl ester
SMILES:
COC(=O)CCCCCCNC(=O)C(CSC(C)=O)Cc1ccccc1Molecular Processing
Molecular formula
C20H29NO4S
Molecular weight
379.52
Exact mass
379.1817
XLogP
3.36
TPSA
72.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
104.89
Supplementary Information
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