Name: (2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanoic acid
SMILES:
COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)O)cc1Molecular Processing
Molecular formula
C19H27N3O7
Molecular weight
409.44
Exact mass
409.1849
XLogP
-0.87
TPSA
137.43
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
102.38
Supplementary Information
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