Name: (2S,3R)-benzyl 3-hydroxy-3-(4-methoxyphenyl)-2-((S)-2-(2-morpholino acetamido)propanamido)propanoate
SMILES:
COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)OCc2ccccc2)cc1Molecular Processing
Molecular formula
C26H33N3O7
Molecular weight
499.56
Exact mass
499.2319
XLogP
0.79
TPSA
126.43
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
130.99
Supplementary Information
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