이름: acetic acid 3-{(1S,2S)-2-acetoxy-3-[(R)-4-allylcarbamoyl-5,5-dimethyl-thiazolidin-3-yl]-1-benzyl-3-oxo-propylcarbamoyl}-2-methyl-phenyl ester
SMILES:
C=CCNC(=O)[C@H]1N(C(=O)[C@@H](OC(C)=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(OC(C)=O)c2C)CSC1(C)CMolecular Processing
Molecular formula
C31H37N3O7S
Molecular weight
595.72
Exact mass
595.2352
XLogP
3.18
TPSA
131.11
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
42
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
159.82
Supplementary Information
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