Name: N-(S-Acetyl-2'-benzyl-3'-mercaptopropionyl)cystine methyl ester
SMILES:
COC(=O)[C@H](CSSC[C@H](N)C(=O)O)NC(=O)C(CSC(C)=O)Cc1ccccc1Molecular Processing
Molecular formula
C19H26N2O6S3
Molecular weight
474.63
Exact mass
474.0953
XLogP
1.58
TPSA
135.79
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
30
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
121.25
Supplementary Information
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