Название: {(R)-[4-(2-Morpholin-4-yl-ethoxy)-phenyl]-[(1S,2S)-2-phenyl-1-(4-propionyl-thiazol-2-ylcarbamoyl)-propylcarbamoyl]-methyl}-carbamic acid-tert-butyl ester
SMILES:
CCC(=O)c1csc(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(OCCN3CCOCC3)cc2)[C@@H](C)c2ccccc2)n1Molecular Processing
Molecular formula
C35H45N5O7S
Molecular weight
679.84
Exact mass
679.304
XLogP
4.94
TPSA
148.19
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
48
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.457
Molar refractivity
183.46
Supplementary Information
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