이름: 1-[(S)-methoxycarbonylamino-phenyl-acetyl]-pyrrolidine-2-(S)-carboxylic acid benzyl ester
SMILES:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C22H24N2O5
Molecular weight
396.44
Exact mass
396.1685
XLogP
2.82
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105.7
Supplementary Information
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