이름: acetic acid 3-{(1S,2S)-3-[(4R)-4-allylcarbamoyl-5,5-dimethyl-thiazolidin-3-yl]-1-benzyl-2-hydroxy-3-oxo-propylcarbamoyl}-2-methyl-phenyl ester
SMILES:
C=CCNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(OC(C)=O)c2C)CSC1(C)CMolecular Processing
Molecular formula
C29H35N3O6S
Molecular weight
553.68
Exact mass
553.2247
XLogP
2.6
TPSA
125.04
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
150.27
Supplementary Information
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