이름: 1-[3-(4-Methoxybenzylmercapto)-2-(methylthio)propanoyl]-L-proline tert-butyl ester
SMILES:
COc1ccc(CSCC(SC)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C21H31NO4S2
Molecular weight
425.62
Exact mass
425.1695
XLogP
3.99
TPSA
55.84
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
117.04
Supplementary Information
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