Name: N-(S-acetyl-2'-benzyl-3'-mercaptopropionyl)aspartic acid dimethyl ester
SMILES:
COC(=O)C[C@H](NC(=O)C(CSC(C)=O)Cc1ccccc1)C(=O)OCMolecular Processing
Molecular formula
C18H23NO6S
Molecular weight
381.45
Exact mass
381.1246
XLogP
1.35
TPSA
98.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
97.35
Supplementary Information
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