Name: 3-(2-Hydroxymethyl-4-tert-butoxycarbonylamino-5-methyl-phenyl)-2-(R)-benzyloxycarbonylamino-propionic acid methyl ester
SMILES:
COC(=O)[C@@H](Cc1cc(C)c(NC(=O)OC(C)(C)C)cc1CO)NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C25H32N2O7
Molecular weight
472.54
Exact mass
472.221
XLogP
3.84
TPSA
123.19
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
126.23
Supplementary Information
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