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Lopinavir Metabolite M-3/M-4

CAS No.:
221553-72-6
Catalog Number:
AG00C4HF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C4HF
Chemical Name:
Lopinavir Metabolite M-3/M-4
CAS Number:
221553-72-6
MDL Number:
MFCD09840843
IUPAC Name:
(2S)-N-[(4S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(4-hydroxy-2-oxo-1,3-diazinan-1-yl)-3-methylbutanamide
InChI:
InChI=1S/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29?,30?,31-,32?,34-/m0/s1
InChI Key:
HECSHMHYHYDFLR-SWOJEPDRSA-N
Properties
Complexity:
974  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
644.357g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
644.813g/mol
Monoisotopic Mass:
644.357g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties