Name: 5-(15-tert-Butoxycarbonyl-pentadecanoylamino)-isophthalic acid mono-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)O)cc(C(=O)OC(C)(C)C)c1Molecular Processing
Molecular formula
C32H51NO7
Molecular weight
561.76
Exact mass
561.3666
XLogP
8.08
TPSA
119
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
40
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
157.68
Supplementary Information
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