이름: ethyl (2R)-5-{[(benzyloxy)carbonyl]amino}-2-(3-tert-butyl-thioureido)pentanoate
SMILES:
CCOC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=S)NC(C)(C)CMolecular Processing
Molecular formula
C20H31N3O4S
Molecular weight
409.55
Exact mass
409.2035
XLogP
2.89
TPSA
88.69
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
112.91
Supplementary Information
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