Name: α-(R)-(3-(R)-formyl-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid, 4-methoxybenzyl ester
SMILES:
COc1ccc(COC(=O)[C@@H](C2CCCCC2)N2C[C@H](c3ccccc3)[C@@H](C=O)C2)cc1Molecular Processing
Molecular formula
C27H33NO4
Molecular weight
435.56
Exact mass
435.241
XLogP
4.6
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
123.46
Supplementary Information
Details werden geladen…
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