Nombre: (S)-Benzyl 2-((S)-2-(tert-butoxycarbonylamino)pent-4-ynamido)-3-(4-methoxy phenyl)propanoate
SMILES:
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H32N2O6
Molecular weight
480.56
Exact mass
480.226
XLogP
3.38
TPSA
102.96
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
35
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
0.37
Molar refractivity
131.47
Supplementary Information
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