His-Leu-lopinavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 124221655
Molecular Formula

C51H70N8O7

SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)OC(=O)CC(CC(C)C)NC(=O)CC(CC5=CN=CN5)N

InChI

InChI=1S/C51H70N8O7/c1-33(2)23-40(56-45(60)27-39(52)26-42-30-53-32-55-42)29-47(62)66-44(43(25-38-19-11-8-12-20-38)58-46(61)31-65-49-35(5)15-13-16-36(49)6)28-41(24-37-17-9-7-10-18-37)57-50(63)48(34(3)4)59-22-14-21-54-51(59)64/h7-13,15-20,30,32-34,39-41,43-44,48H,14,21-29,31,52H2,1-6H3,(H,53,55)(H,54,64)(H,56,60)(H,57,63)(H,58,61)/t39?,40?,41-,43-,44-,48-/m0/s1

synonyms
  • His-Leu-lopinavir
  • His-Leu-LPV
  • Histidine-Leucine-Lopinavir
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Properties
Property Value
MW 907.1 g/mol
HBD 6
HBA 9
Rotatable Bond Count 26
Exact Mass 906.53674660 g/mol
Monoisotopic Mass 906.53674660 g/mol
Heavy Atom Count 66
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1500
xlogp 6.7
Topological Polar Surface Area 210