hexarelin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 76
Total Number of Articles : 155
PubChem 6918297
Molecular Formula

C47H58N12O6

SMILES

CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1

synonyms
  • Hexarelin
  • Examorelin
  • 140703-51-1
Click to show/hide the synonyms
Properties
Property Value
MW 887.0 g/mol
HBD 11
HBA 9
Rotatable Bond Count 23
Exact Mass 886.46022762 g/mol
Monoisotopic Mass 886.46022762 g/mol
Heavy Atom Count 65
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1600
xlogp 2.3
Topological Polar Surface Area 301