Name: (S)-benzyl 2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanoate hydrochloride
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)OCc1ccccc1.ClMolecular Processing
Molecular formula
C23H31ClN2O3
Molecular weight
418.97
Exact mass
418.2023
XLogP
3.64
TPSA
81.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.391
Molar refractivity
117.61
Supplementary Information
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