Name: (S)-benzyl 2-((S)-2-((tert-butoxycarbonyl)amino)propanamido)-3-(4-methoxyphenyl)propanoate
SMILES:
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1Molecular Processing
Molecular formula
C25H32N2O6
Molecular weight
456.54
Exact mass
456.226
XLogP
3.38
TPSA
102.96
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
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
0.4
Molar refractivity
123.7
Supplementary Information
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