이름: (S)-2-[4-(2-ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid [1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide
SMILES:
CCOc1ccccc1OC1=CC(=O)N([C@@H](CC(C)C)C(=O)Nc2ccn(C[C@@H]3COC(C)(C)O3)n2)C1Molecular Processing
Molecular formula
C27H36N4O6
Molecular weight
512.61
Exact mass
512.2635
XLogP
3.59
TPSA
104.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
137.04
Supplementary Information
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