Nombre: 1-benzyl 4-tert-butyl (2S)-2-{benzyl[2-(chloromethyl)prop-2-en-1-yl]amino}succinate
SMILES:
C=C(CCl)CN(Cc1ccccc1)[C@@H](CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C26H32ClNO4
Molecular weight
458
Exact mass
457.202
XLogP
5.13
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
127.2
Supplementary Information
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