이름: (2S,3S)-2-acetoxy-3-(3-acetoxy-2-methyl-benzoylamino)-4-phenyl-butyric acid chloride
SMILES:
CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](OC(C)=O)C(=O)Cl)c1CMolecular Processing
Molecular formula
C22H22ClNO6
Molecular weight
431.87
Exact mass
431.1136
XLogP
2.96
TPSA
98.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.3
Supplementary Information
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