Название: N2 [3(S)-[[N-(benzyloxycarbonyl)-3-(methylsulphinyl)-L-alanyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N1 -tert.butyl-L-prolinamide N2 -oxide
SMILES:
CS(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[C@@]1(C(=O)[NH2+][O-])CCCN1C(C)(C)C.N#NMolecular Processing
Molecular formula
C31H44N6O7S
Molecular weight
644.79
Exact mass
644.2992
XLogP
1.39
TPSA
212.29
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
45
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.516
Molar refractivity
167.36
Supplementary Information
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